In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 30 | 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) | 4.21 | 8.29 | -52.8 | 1 | 6 | -1 | 71 | 450.321 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.21 | 7.87 | -7.3 | 2 | 6 | 0 | 68 | 451.329 | 4 | ↓ |