In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 1st, 2009 | 25 | 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) | 3.55 | 8.48 | -8.79 | 0 | 4 | 0 | 33 | 348.531 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.55 | 10.74 | -51.22 | 1 | 4 | 1 | 34 | 349.539 | 7 | ↓ |