In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2011 | 36 | 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) | -2.73 | 2.59 | -99.97 | 3 | 14 | -1 | 207 | 574.668 | 12 | ↓ |
Mid Mid (pH 6-8) | -2.73 | 1.11 | -110.66 | 2 | 14 | -2 | 202 | 573.66 | 12 | ↓ |
No pre-computed analogs available. Try a structural similarity search.