In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 20 | 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) | 2.11 | 5.99 | -53.18 | 0 | 6 | -1 | 81 | 272.236 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.11 | 6.45 | -63 | 1 | 6 | 0 | 82 | 273.244 | 4 | ↓ |