In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 23rd, 2009 | 14 | Yes |
Popular Name: (3S)-N-methyl-1-[(1R,3S)-3-methylcyclohexyl]pyrrolidin-3-amine (3S)-N-methyl-1-[(1R,3S)-3-methy…
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) | 2.16 | 5.45 | -31.14 | 2 | 2 | 1 | 16 | 197.346 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.16 | 6.66 | -107.05 | 3 | 2 | 2 | 21 | 198.354 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.16 | 4.18 | -37.02 | 2 | 2 | 1 | 20 | 197.346 | 2 | ↓ |