In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2011 | 32 | 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) | 4.05 | 8.74 | -74.02 | 2 | 8 | 1 | 88 | 493.034 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.05 | 6.31 | -23.96 | 1 | 8 | 0 | 87 | 492.026 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.