UCSF

ZINC17724773

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2008 26 No

Popular Name: 6'-amino-3'-butyl-1-methyl-1,1',3,4'-tetrahydro-2-oxospiro(2H-indole-3,4'-pyrano[2,3-c]pyrazole)-5'-carbonitrile 6'-amino-3'-butyl-1-methyl-1,1',…

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Other Names:

MFCD04180319

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) 2.39 3.54 -12.4 3 7 0 108 349.394 3 ↓
Ref Reference (pH 7) 2.39 2.98 -12.88 3 7 0 108 349.394 3 ↓

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