In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 28th, 2004 | 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) | 3.71 | 7.92 | -7.75 | 0 | 5 | 0 | 45 | 488.451 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.71 | 11.14 | -92.13 | 2 | 5 | 2 | 48 | 490.467 | 4 | ↓ |