In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 9th, 2011 | 19 | 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) | 3.74 | 10.8 | -39.04 | 1 | 3 | 0 | 45 | 261.365 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.74 | 10.93 | -44.28 | 0 | 3 | -1 | 43 | 260.357 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.