In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 1st, 2008 | 29 | 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) | 5.34 | 9.97 | -11.24 | 0 | 4 | 0 | 38 | 401.432 | 4 | ↓ |
Ref Reference (pH 7) | 5.34 | 10.23 | -8.01 | 0 | 4 | 0 | 38 | 401.432 | 4 | ↓ |
Mid Mid (pH 6-8) | 5.34 | 12.27 | -46.04 | 1 | 4 | 1 | 39 | 402.44 | 4 | ↓ |