In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 25th, 2008 | 32 | 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) | 4.66 | 10.38 | -16.34 | 1 | 7 | 0 | 86 | 458.469 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.73 | 9.48 | -49.6 | 0 | 7 | -1 | 92 | 457.461 | 5 | ↓ |