| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 9th, 2010 | 30 | Yes |
Popular Name: N-(4-butylphenyl)-2-[(2S)-2-(3-pyridyl)pyrrolidin-1-yl]pyridine-3-carboxamide N-(4-butylphenyl)-2-[(2S)-2-(3-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) | 4.60 | 13.45 | -10.74 | 1 | 5 | 0 | 58 | 400.526 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.60 | 13.83 | -34.76 | 2 | 5 | 1 | 59 | 401.534 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.60 | 14.35 | -92.48 | 3 | 5 | 2 | 61 | 402.542 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.60 | 13.96 | -34.01 | 2 | 5 | 1 | 59 | 401.534 | 7 | ↓ |
