In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2006 | 27 | 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) | 8.56 | 17.7 | -47.86 | 0 | 4 | -1 | 66 | 383.593 | 22 | ↓ |
Lo Low (pH 4.5-6) | 8.56 | 15.72 | -9.61 | 1 | 4 | 0 | 64 | 384.601 | 22 | ↓ |