In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2009 | 10 | No |
Popular Name: 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetonitrile 2-[(2R)-2-(hydroxymethyl)pyrroli…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -0.11 | -0.51 | -9.02 | 1 | 3 | 0 | 47 | 140.186 | 2 | ↓ |
Mid Mid (pH 6-8) | -0.11 | 1.9 | -41.45 | 2 | 3 | 1 | 48 | 141.194 | 2 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.48 | 2.22 | -28.16 | 2 | 2 | 1 | 25 | 130.211 | 2 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.48 | 1.97 | -27.63 | 2 | 2 | 1 | 25 | 130.211 | 2 | ↓ |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.10 | 1.52 | -28.29 | 2 | 2 | 1 | 25 | 116.184 | 1 | ↓ |
Popular Name: N-Methyl-D-prolinol N-Methyl-D-prolinol
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 0.10 | 1.51 | -28.36 | 2 | 2 | 1 | 25 | 116.184 | 1 | ↓ |