UCSF

ZINC04311933

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 26 No

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

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Other Names:

MFCD01835801

MFCD02983055

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) 2.81 2.04 -10.42 3 7 0 106 354.41 4 ↓
Ref Reference (pH 7) 2.81 2.78 -10.24 3 7 0 106 354.41 4 ↓
Lo Low (pH 4.5-6) 2.81 2.95 -57.29 4 7 1 108 355.418 4 ↓

Activity (Go SEA)

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