UCSF

ZINC39759507

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 27 No

Popular Name: (2R)-2-[[4-allyl-5-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4,5-dihydrothiazol-2-yl)prop (2R)-2-[[4-allyl-5-(3,4-dimethyl…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.73 9.54 -16.65 1 6 0 72 401.561 6 ↓
Lo Low (pH 4.5-6) 3.73 10.67 -37.14 2 6 1 74 402.569 6 ↓

Activity (Go SEA)

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