UCSF

ZINC69562181

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 22 Yes

Popular Name: 4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)thieno[3,2-d]pyrimidine 4-(4-pyrimidin-2-yl-1,4-diazepan…

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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) 2.10 10.15 -13.72 0 6 0 58 312.402 2 ↓
Lo Low (pH 4.5-6) 2.10 10.6 -31.47 1 6 1 59 313.41 2 ↓

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

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