In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 17 | 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) | -0.93 | 4.75 | -32.59 | 3 | 4 | 0 | 71 | 236.315 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.93 | 5.99 | -41.54 | 3 | 4 | 0 | 71 | 236.315 | 6 | ↓ |
Mid Mid (pH 6-8) | -0.93 | 6.32 | -79.4 | 4 | 4 | 1 | 72 | 237.323 | 6 | ↓ |