In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2011 | 18 | 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) | 3.27 | 9.61 | -37.66 | 1 | 2 | 1 | 22 | 264.414 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.27 | 7.42 | -6.32 | 0 | 2 | 0 | 20 | 263.406 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.