In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 5th, 2011 | 38 | 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) | 5.24 | 17.64 | -53.31 | 1 | 9 | 1 | 106 | 526.585 | 12 | ↓ |
Mid Mid (pH 6-8) | 5.24 | 15.41 | -27.31 | 0 | 9 | 0 | 105 | 525.577 | 12 | ↓ |