| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 8th, 2010 | 25 | No |
Popular Name: (3S)-1-butanoyl-N-[(2-hydroxy-5-nitro-phenyl)methyl]piperidine-3-carboxamide (3S)-1-butanoyl-N-[(2-hydroxy-5-…
| 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) | 2.25 | 5.08 | -21.27 | 2 | 8 | 0 | 115 | 349.387 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.25 | 5.84 | -39.59 | 1 | 8 | -1 | 118 | 348.379 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
