In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 19 | Yes |
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) | -1.46 | 1.24 | -8.45 | 2 | 5 | 0 | 59 | 261.325 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.46 | 1.55 | -46.23 | 3 | 5 | 1 | 60 | 262.333 | 3 | ↓ |
Mid Mid (pH 6-8) | -1.46 | 3.52 | -40.52 | 3 | 5 | 1 | 60 | 262.333 | 3 | ↓ |
Lo Low (pH 4.5-6) | -1.46 | 3.82 | -96.9 | 4 | 5 | 2 | 62 | 263.341 | 3 | ↓ |