In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2011 | 13 | 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) | 0.04 | -0.58 | -46.39 | 2 | 5 | 1 | 75 | 177.187 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.04 | -2.28 | -9.21 | 1 | 5 | 0 | 71 | 176.179 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.