In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 21 | No |
None
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) | 2.20 | -1.1 | -14.34 | 4 | 6 | 0 | 111 | 286.239 | 1 | ↓ |
Hi High (pH 8-9.5) | 2.20 | -0.08 | -45.82 | 3 | 6 | -1 | 114 | 285.231 | 1 | ↓ |