In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2008 | 34 | 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 | 10.47 | -16.61 | 0 | 7 | 0 | 70 | 460.53 | 9 | ↓ |
Lo Low (pH 4.5-6) | 3.50 | 10.76 | -54.84 | 1 | 7 | 1 | 71 | 461.538 | 9 | ↓ |