In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2011 | 24 | 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) | -0.07 | 7.41 | -77.6 | 1 | 8 | 0 | 92 | 336.392 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.07 | 4.94 | -53.34 | 0 | 8 | -1 | 91 | 335.384 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.