In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 38 | 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) | 1.57 | 10.3 | -100.17 | 4 | 8 | 2 | 87 | 538.762 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.57 | 7.94 | -53.31 | 3 | 8 | 1 | 85 | 537.754 | 7 | ↓ |