In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 4th, 2005 | 28 | 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) | 4.32 | 13.84 | -54.83 | 1 | 4 | 1 | 31 | 378.54 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.32 | 11.93 | -13.05 | 0 | 4 | 0 | 30 | 377.532 | 7 | ↓ |