UCSF

ZINC39763918

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2R)-N-tert-butyl-2-[[(5R)-4-cyclopropyl-3-(2H-indol-3-yl)-1,5-dihydro-1,2,4-triazol-5-yl]sulfanyl]p (2R)-N-tert-butyl-2-[[(5R)-4-cyc…

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) 2.94 7.05 -37.78 3 6 1 71 386.545 6 ↓

Activity (Go SEA)

Rings

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

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