In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2010 | 31 | No |
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) | 2.68 | 5.48 | -10.67 | 3 | 8 | 0 | 98 | 420.469 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.68 | 6.19 | -42.54 | 4 | 8 | 1 | 102 | 421.477 | 3 | ↓ |