In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2007 | 28 | 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) | 1.81 | 6.7 | -54.12 | 4 | 7 | 1 | 95 | 402.906 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.81 | 7.16 | -114.73 | 5 | 7 | 2 | 96 | 403.914 | 3 | ↓ |