In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 36 | No |
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) | 5.36 | 12.36 | -58.3 | 0 | 6 | -1 | 79 | 504.99 | 10 | ↓ |
Mid Mid (pH 6-8) | 5.81 | 12.05 | -12.45 | 1 | 6 | 0 | 76 | 505.998 | 9 | ↓ |