In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 19 | 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) | 2.44 | 6.25 | -53.92 | 3 | 4 | 1 | 62 | 278.401 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.89 | 5.18 | -45.13 | 2 | 4 | 0 | 65 | 277.393 | 3 | ↓ |