UCSF

ZINC38574086

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 21 No

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

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) 0.14 -3.12 -10.82 2 7 0 106 283.291 3 ↓
Lo Low (pH 4.5-6) 0.14 -2.75 -51.21 3 7 1 108 284.299 3 ↓

Activity (Go SEA)

Rings

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

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