In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 19th, 2011 | 19 | Yes |
Popular Name: 2-acetyl-3-{3-nitrophenyl}-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazole 2-acetyl-3-{3-nitrophenyl}-8-met…
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) | 0.52 | 6.35 | -35.55 | 2 | 6 | 1 | 66 | 260.321 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.52 | 5.84 | -10.14 | 1 | 6 | 0 | 65 | 259.313 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.