In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2009 | 15 | 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) | 0.89 | 6.81 | -38.54 | 1 | 3 | 1 | 41 | 204.297 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.89 | 5.13 | -31.11 | 1 | 3 | 1 | 41 | 204.297 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.89 | 5 | -9.13 | 0 | 3 | 0 | 40 | 203.289 | 5 | ↓ |