In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 15 | Yes |
Popular Name: (3S)-1-[(1S,2R)-2-ethylcyclohexyl]-N-methyl-pyrrolidin-3-amine (3S)-1-[(1S,2R)-2-ethylcyclohexy…
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) | 2.90 | 5.91 | -30.64 | 2 | 2 | 1 | 16 | 211.373 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.90 | 7.21 | -108.58 | 3 | 2 | 2 | 21 | 212.381 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.90 | 5.23 | -36.24 | 2 | 2 | 1 | 20 | 211.373 | 3 | ↓ |