In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 15th, 2007 | 34 | 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) | 4.01 | 7.2 | -14.01 | 3 | 7 | 0 | 99 | 455.514 | 8 | ↓ |
Mid Mid (pH 6-8) | 4.01 | 7.97 | -54.6 | 2 | 7 | -1 | 102 | 454.506 | 8 | ↓ |