In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 8th, 2006 | 27 | 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) | 4.54 | 9.47 | -13.01 | 2 | 5 | 0 | 59 | 359.429 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.54 | 9.97 | -28.99 | 3 | 5 | 1 | 60 | 360.437 | 5 | ↓ |