In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2008 | 29 | 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) | 4.13 | 3.74 | -15.49 | 1 | 5 | 0 | 71 | 422.476 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.13 | 12.14 | -49.27 | 2 | 5 | 1 | 72 | 423.484 | 6 | ↓ |