UCSF

ZINC53574585

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 21 Yes

Popular Name: 2-[(4-allyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-chloro-1-methyl-benzimidazole 2-[(4-allyl-1,2,4-triazol-3-yl)s…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 2.94 10.92 -14.09 0 5 0 49 319.821 5 ↓
Lo Low (pH 4.5-6) 2.94 11.35 -33.88 1 5 1 50 320.829 5 ↓

Activity (Go SEA)

Rings

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

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