In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 21st, 2008 | 17 | 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) | 0.61 | 2.47 | -19.35 | 1 | 9 | 0 | 138 | 257.183 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.68 | 1.01 | -44.44 | 0 | 9 | -1 | 144 | 256.175 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.