In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 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) | 2.98 | 8.61 | -53.08 | 1 | 4 | -1 | 61 | 270.308 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.98 | 6.67 | -7.13 | 2 | 4 | 0 | 59 | 271.316 | 6 | ↓ |