In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2010 | 15 | 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) | 2.54 | 9.39 | -95.75 | 2 | 2 | 2 | 9 | 214.397 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.54 | 7.13 | -31.05 | 1 | 2 | 1 | 8 | 213.389 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.54 | 7.23 | -32.59 | 1 | 2 | 1 | 8 | 213.389 | 6 | ↓ |