In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2007 | 30 | 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) | 5.57 | 1.47 | -9.18 | 0 | 5 | 0 | 63 | 457.7 | 2 | ↓ |
Lo Low (pH 4.5-6) | 5.57 | 1.67 | -39.41 | 1 | 5 | 1 | 64 | 458.708 | 2 | ↓ |