In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 23 | 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) | 2.43 | 7.29 | -32.22 | 1 | 4 | -1 | 57 | 347.313 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.18 | 8.39 | -13.81 | 2 | 4 | 0 | 50 | 348.321 | 5 | ↓ |