UCSF

ZINC69699668

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 22 Yes

Popular Name: 6-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one 6-[(1-methylbenzimidazol-2-yl)me…

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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) 2.66 3.67 -45.14 1 7 -1 95 311.35 3 ↓
Lo Low (pH 4.5-6) 2.66 4.27 -44.42 2 7 0 97 312.358 3 ↓
Lo Low (pH 4.5-6) 2.20 6.03 -39.83 3 7 1 94 313.366 3 ↓

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

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