UCSF

ZINC19814707

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 33 No

Popular Name: 6-amino-4-[4-(diethylamino)phenyl]-3-(4-isobutylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-[4-(diethylamino)pheny…

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Other Names:

MFCD03069076

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) 5.05 9.59 -19.76 4 6 0 92 442.587 7 ↓
Mid Mid (pH 6-8) 5.05 9.49 -7.87 3 6 0 91 441.579 7 ↓
Lo Low (pH 4.5-6) 5.05 10.36 -52.81 4 6 1 93 442.587 7 ↓

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