In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2010 | 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) | 3.06 | 9.71 | -46.01 | 1 | 4 | 0 | 58 | 248.326 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.06 | 9.24 | -48.99 | 0 | 4 | -1 | 56 | 247.318 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.