In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | 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) | 3.15 | 9.7 | -76.23 | 3 | 3 | 2 | 21 | 295.515 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.15 | 8.42 | -98.63 | 3 | 3 | 2 | 24 | 295.515 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.15 | 10.68 | -188.48 | 4 | 3 | 3 | 25 | 296.523 | 5 | ↓ |