UCSF

ZINC39500510

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 24 No

Popular Name: 2-[(5R,6aR)-1-[[(1R)-cyclohex-3-en-1-yl]methyl]-6,6a-dihydro-5H-imidazo[4,5-c]pyrazol-5-yl]-6-methox 2-[(5R,6aR)-1-[[(1R)-cyclohex-3-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

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) 2.52 3.24 -7.44 2 6 0 69 326.4 4 ↓
Hi High (pH 8-9.5) 2.52 3.99 -48.46 1 6 -1 72 325.392 4 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.