In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2010 | 21 | 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) | 2.48 | 8.41 | -95.21 | 4 | 3 | 2 | 45 | 279.387 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 7.98 | -54.26 | 3 | 3 | 1 | 44 | 278.379 | 5 | ↓ |