In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 15th, 2010 | 32 | 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) | 6.29 | 13.6 | -16.81 | 1 | 5 | 0 | 56 | 435.612 | 10 | ↓ |
Mid Mid (pH 6-8) | 6.29 | 13.9 | -40.3 | 2 | 5 | 1 | 57 | 436.62 | 10 | ↓ |