In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 8th, 2006 | 29 | 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) | 4.70 | 11.06 | -32.53 | 2 | 6 | 1 | 58 | 388.447 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.70 | 10.69 | -13.31 | 1 | 6 | 0 | 57 | 387.439 | 5 | ↓ |