UCSF

ZINC39500050

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 4-[(3R)-3-methyl-2-propyl-1,3-dihydropyrazol-4-yl]-N-[2-[[(3R)-3H-1,2,4-triazol-3-yl]sulfanyl]ethyl] 4-[(3R)-3-methyl-2-propyl-1,3-di…

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) 1.60 7.33 -44.72 4 8 1 99 347.472 8 ↓
Mid Mid (pH 6-8) 1.60 7.73 -15.3 3 8 0 95 346.464 8 ↓
Mid Mid (pH 6-8) 1.60 8.12 -39.57 4 8 1 96 347.472 8 ↓

Activity (Go SEA)

Rings

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

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