In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2006 | 30 | 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) | 4.65 | 15.23 | -9.67 | 0 | 6 | 0 | 62 | 400.482 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.65 | 15.74 | -46.4 | 1 | 6 | 1 | 63 | 401.49 | 5 | ↓ |