In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 24 | Yes |
Popular Name: (2S)-2-(3,4-dimethoxyphenyl)-3-methyl-N-(3-pyridylmethyl)butanamide (2S)-2-(3,4-dimethoxyphenyl)-3-m…
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) | 2.42 | 6.82 | -12.08 | 1 | 5 | 0 | 60 | 328.412 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.42 | 7.28 | -46.11 | 2 | 5 | 1 | 62 | 329.42 | 7 | ↓ |