In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 10th, 2009 | 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) | 2.04 | 5.55 | -43.3 | 3 | 7 | 1 | 93 | 401.483 | 6 | ↓ |
Lo Low (pH 4.5-6) | 2.04 | 6.08 | -89.7 | 4 | 7 | 2 | 95 | 402.491 | 6 | ↓ |