UCSF

ZINC05095392

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 25 No

Popular Name: 6-amino-4-(1,3-benzodioxol-5-yl)-3-tert-butyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-(1,3-benzodioxol-5-yl)…

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Other Names:

MFCD02950562

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) 3.06 1.5 -9.19 3 7 0 106 338.367 2 ↓
Ref Reference (pH 7) 3.06 2.22 -9.07 3 7 0 106 338.367 2 ↓
Lo Low (pH 4.5-6) 3.06 2.44 -57.66 4 7 1 108 339.375 2 ↓

Activity (Go SEA)

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