In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 21st, 2010 | 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) | 2.51 | 6.58 | -90.1 | 4 | 4 | 2 | 50 | 279.428 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.69 | 4.28 | -45.28 | 3 | 4 | 1 | 56 | 278.42 | 3 | ↓ |