In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 20 | 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) | 3.06 | 5.84 | -42.61 | 2 | 3 | 1 | 29 | 281.464 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.06 | 8.11 | -111.43 | 3 | 3 | 2 | 30 | 282.472 | 5 | ↓ |