In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2010 | 39 | 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) | 6.89 | 16.61 | -14.55 | 0 | 7 | 0 | 82 | 526.633 | 10 | ↓ |
Mid Mid (pH 6-8) | 6.89 | 17 | -36.05 | 1 | 7 | 1 | 83 | 527.641 | 10 | ↓ |