In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 16th, 2009 | 23 | No |
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) | 0.85 | 4.56 | -64.88 | 2 | 7 | 1 | 85 | 341.457 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.85 | 2.44 | -21.8 | 1 | 7 | 0 | 84 | 340.449 | 6 | ↓ |