In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 13 | Yes |
Popular Name: (1S,2R)-2-[(3R)-3-methylpyrrolidin-1-yl]cyclohexanamine (1S,2R)-2-[(3R)-3-methylpyrrolid…
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) | 1.48 | 5.27 | -112.45 | 4 | 2 | 2 | 32 | 184.327 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.48 | 3.06 | -36.24 | 3 | 2 | 1 | 31 | 183.319 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.48 | 5.02 | -29.5 | 3 | 2 | 1 | 30 | 183.319 | 1 | ↓ |