In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 18 | Yes |
Popular Name: [(3S)-1-[[4-(dimethylaminomethyl)phenyl]methyl]pyrrolidin-3-yl]methanol [(3S)-1-[[4-(dimethylaminomethyl…
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) | 1.42 | 6.77 | -83.85 | 3 | 3 | 2 | 29 | 250.386 | 5 | ↓ |
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) | 0.68 | 3.52 | -39.59 | 3 | 3 | 1 | 45 | 222.308 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.68 | 1.08 | -5.73 | 2 | 3 | 0 | 44 | 221.3 | 4 | ↓ |