UCSF

ZINC39743758

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 32 No

Popular Name: 1-(4-ethoxy-3-nitro-phenyl)-2-[[4-isobutyl-5-(morpholinomethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone 1-(4-ethoxy-3-nitro-phenyl)-2-[[…

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) 2.72 10.07 -19.22 0 10 0 115 463.56 11 ↓
Lo Low (pH 4.5-6) 2.72 12.43 -58.17 1 10 1 117 464.568 11 ↓

Activity (Go SEA)

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