In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2010 | 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) | 2.40 | 8.07 | -14.18 | 0 | 8 | 0 | 98 | 420.45 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.40 | 8.77 | -35.18 | 1 | 8 | 1 | 100 | 421.458 | 4 | ↓ |