In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2010 | 27 | 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) | 4.32 | 9.6 | -10.86 | 1 | 4 | 0 | 28 | 428.36 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.32 | 11.84 | -53.38 | 2 | 4 | 1 | 29 | 429.368 | 6 | ↓ |