In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2010 | 14 | Yes |
Popular Name: (3S)-1-[(1R)-3-amino-1-methyl-propyl]piperidine-3-carboxamide (3S)-1-[(1R)-3-amino-1-methyl-pr…
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) | -0.75 | 0.43 | -113.53 | 6 | 4 | 2 | 75 | 201.314 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.75 | 0.03 | -34.92 | 5 | 4 | 1 | 74 | 200.306 | 4 | ↓ |
Mid Mid (pH 6-8) | -0.75 | -1.48 | -49.38 | 5 | 4 | 1 | 74 | 200.306 | 4 | ↓ |