UCSF

ZINC38597250

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (4S,7aR)-6-amino-3-methyl-4-(5-nitro-2-furyl)-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (4S,7aR)-6-amino-3-methyl-4-(5-n…

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) 1.11 -0.91 -12.78 2 9 0 143 287.235 2 ↓
Lo Low (pH 4.5-6) 1.11 -0.53 -52.64 3 9 1 144 288.243 2 ↓

Activity (Go SEA)

Rings

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

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