In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 19th, 2008 | 36 | 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) | 3.39 | 8.58 | -58.76 | 0 | 8 | -1 | 91 | 493.58 | 10 | ↓ |
Mid Mid (pH 6-8) | 3.39 | 10.91 | -77.24 | 1 | 8 | 0 | 93 | 494.588 | 10 | ↓ |