In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2008 | 37 | No |
None
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) | 2.82 | 0.1 | -23.9 | 1 | 7 | 0 | 86 | 492.579 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.82 | 0.21 | -44.55 | 2 | 7 | 1 | 88 | 493.587 | 5 | ↓ |