In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 31st, 2005 | 23 | 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) | 2.86 | 11.96 | -44.79 | 1 | 3 | 1 | 22 | 306.433 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.86 | 9.56 | -8.47 | 0 | 3 | 0 | 21 | 305.425 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.86 | 12.39 | -84.94 | 2 | 3 | 2 | 24 | 307.441 | 3 | ↓ |