UCSF

ZINC18955410

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2008 29 Yes

Popular Name: 2-[[2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2-methoxyethyl)-4,5,6,7-tetrahydrobenzo 2-[[2-[(4-allyl-1,2,4-triazol-3-…

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) 1.89 8.12 -16.35 2 8 0 98 435.575 10 ↓

Activity (Go SEA)

Rings

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

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