In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 5th, 2008 | 30 | 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) | 4.53 | -1.29 | -54.21 | 2 | 5 | 1 | 57 | 409.481 | 4 | ↓ |
Lo Low (pH 4.5-6) | 4.53 | -1.21 | -117.37 | 3 | 5 | 2 | 58 | 410.489 | 4 | ↓ |