UCSF

ZINC69512880

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 2.37 7.08 -8.97 0 4 0 42 310.788 2 ↓
Lo Low (pH 4.5-6) 2.37 9.35 -43.94 1 4 1 43 311.796 2 ↓

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

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