In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 17 | Yes |
Popular Name: (3S)-2-methyl-N-[3-(4-methyl-1-piperidyl)propyl]pentan-3-amine (3S)-2-methyl-N-[3-(4-methyl-1-p…
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) | 3.54 | 9.33 | -102 | 3 | 2 | 2 | 21 | 242.451 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.54 | 6.99 | -34.81 | 2 | 2 | 1 | 20 | 241.443 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.54 | 8.18 | -32.31 | 2 | 2 | 1 | 16 | 241.443 | 7 | ↓ |