In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2011 | 25 | 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) | 2.50 | 8.53 | -123.67 | 0 | 6 | -2 | 90 | 336.347 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.50 | 6.56 | -56.36 | 1 | 6 | -1 | 87 | 337.355 | 6 | ↓ |