In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | 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) | 3.00 | 5.95 | -37.07 | 2 | 4 | 1 | 40 | 292.447 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.00 | 8.16 | -98.38 | 3 | 4 | 2 | 41 | 293.455 | 3 | ↓ |