In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 31 | 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) | 4.10 | 7.28 | -50.33 | 2 | 7 | 1 | 76 | 462.958 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.10 | 4.92 | -9.39 | 1 | 7 | 0 | 74 | 461.95 | 6 | ↓ |