In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 7th, 2010 | 18 | 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) | 1.95 | 6.8 | -49.3 | 1 | 5 | -1 | 72 | 253.322 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.95 | 4.82 | -14.1 | 2 | 5 | 0 | 70 | 254.33 | 4 | ↓ |