In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 31 | 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) | 4.35 | 10.04 | -9.7 | 0 | 5 | 0 | 35 | 421.495 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.35 | 12.38 | -55.73 | 1 | 5 | 1 | 37 | 422.503 | 4 | ↓ |