In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 7th, 2008 | 35 | 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) | 3.36 | 9.41 | -28.88 | 2 | 7 | 0 | 93 | 475.52 | 10 | ↓ |
Lo Low (pH 4.5-6) | 3.36 | 11.01 | -50.62 | 3 | 7 | 1 | 95 | 476.528 | 10 | ↓ |