In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 2nd, 2011 | 20 | 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) | 0.46 | 8.1 | -46.01 | 3 | 4 | 0 | 73 | 268.316 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.46 | 7.78 | -46.92 | 2 | 4 | -1 | 71 | 267.308 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.