In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
Popular Name: (3R)-3-(aminomethyl)-1-benzyl-N-ethyl-N-isobutyl-pyrrolidin-3-amine (3R)-3-(aminomethyl)-1-benzyl-N-…
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) | 2.26 | 7.2 | -108.75 | 4 | 3 | 2 | 35 | 291.483 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.26 | 7.91 | -33.45 | 3 | 3 | 1 | 34 | 290.475 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.26 | 5.42 | -1.37 | 2 | 3 | 0 | 32 | 289.467 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.26 | 7.66 | -120.22 | 4 | 3 | 2 | 35 | 291.483 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.26 | 7.28 | -28.97 | 3 | 3 | 1 | 34 | 290.475 | 7 | ↓ |