UCSF

ZINC38577615

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 18 No

Popular Name: (4S,7aS)-6-amino-3-methyl-4-(3-thienyl)-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (4S,7aS)-6-amino-3-methyl-4-(3-t…

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) 1.36 -1.24 -6.68 2 5 0 84 258.306 1 ↓
Lo Low (pH 4.5-6) 1.36 -0.84 -47.19 3 5 1 85 259.314 1 ↓

Activity (Go SEA)

Rings

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

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