In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2011 | 17 | 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) | 3.50 | 7.65 | -6.18 | 0 | 2 | 0 | 22 | 245.709 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.50 | 8.12 | -34.83 | 1 | 2 | 1 | 23 | 246.717 | 1 | ↓ |