In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2006 | 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) | 2.29 | 7.28 | -19.87 | 1 | 7 | 0 | 78 | 342.399 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.29 | 7.47 | -50.84 | 2 | 7 | 1 | 79 | 343.407 | 7 | ↓ |