UCSF

ZINC38734798

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 35 No

Popular Name: (3R)-6-chloro-3-[(3R)-3-(2-hydroxyphenyl)-2-(2-methylpropanoyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-3H (3R)-6-chloro-3-[(3R)-3-(2-hydro…

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) 5.84 11.22 -37.56 2 6 1 84 486.979 4 ↓
Hi High (pH 8-9.5) 5.84 11.98 -67.27 1 6 0 87 485.971 4 ↓

Activity (Go SEA)

Rings

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

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