UCSF

ZINC69779880

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 21 Yes

Popular Name: 4-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine 4-[(3S)-3-ethyl-4-(2-methoxyethy…

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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) 2.27 7.96 -37.6 1 5 1 43 307.443 5 ↓
Mid Mid (pH 6-8) 2.27 5.73 -6.97 0 5 0 41 306.435 5 ↓

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

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