In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2008 | 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) | 1.88 | 4 | -41.76 | 2 | 3 | 1 | 23 | 246.378 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.88 | 6.36 | -121.53 | 3 | 3 | 2 | 24 | 247.386 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.88 | 4.96 | -37.39 | 2 | 3 | 1 | 20 | 246.378 | 3 | ↓ |