In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2008 | 31 | 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) | 1.68 | 5.36 | -59.89 | 0 | 8 | -1 | 107 | 443.501 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.12 | 5.2 | -17.24 | 1 | 8 | 0 | 104 | 444.509 | 7 | ↓ |