UCSF

ZINC56701104

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 23 No

Popular Name: N-allyl-N'-(4-imino-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)thiourea N-allyl-N'-(4-imino-1-phenyl-1,4…

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Other Names:

MFCD02955843

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) -1.91 9.05 -39.41 4 7 1 85 326.409 6 ↓
Mid Mid (pH 6-8) 0.37 9.37 -12.1 3 7 0 84 325.401 6 ↓

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

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