In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 4th, 2006 | 24 | 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) | 2.83 | 5.72 | -57.13 | 0 | 6 | -1 | 87 | 341.368 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.83 | 5.7 | -15.89 | 1 | 6 | 0 | 85 | 342.376 | 5 | ↓ |