UCSF

ZINC69510239

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 17 Yes

Popular Name: 7-[(5-chloro-2-thienyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine 7-[(5-chloro-2-thienyl)methyl]-6…

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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) 2.18 5.92 -7.5 0 3 0 29 265.769 2 ↓
Mid Mid (pH 6-8) 2.18 8.18 -48.34 1 3 1 30 266.777 2 ↓

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

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