UCSF

ZINC22358315

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 27 Yes

Popular Name: 2-[[allyl-[(5-chloro-2-thienyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one 2-[[allyl-[(5-chloro-2-thienyl)m…

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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) 3.26 6.93 -12.38 1 6 0 67 405.907 8 ↓
Mid Mid (pH 6-8) 3.72 8.34 -40.32 1 6 0 72 405.907 8 ↓
Lo Low (pH 4.5-6) 3.26 9.2 -54.27 2 6 1 69 406.915 8 ↓

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

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