UCSF

ZINC22745543

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 35 No

Popular Name: (9R)-6,6-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-9-styryl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1- (9R)-6,6-dimethyl-2-[(4-nitrophe…

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) 5.61 17.42 -19.96 1 8 0 106 487.585 6 ↓
Hi High (pH 8-9.5) 5.78 17.57 -43.58 0 8 -1 107 486.577 6 ↓
Mid Mid (pH 6-8) 2.23 7.36 -17.63 1 8 0 86 442.512 8 ↓

Activity (Go SEA)

Rings

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

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