UCSF

ZINC67172431

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2011 31 No

Popular Name: 1-[(8E)-8-(4-methoxybenzylidene)-4-(4-methoxyphenyl)-2-thioxo-1,3,4,5,7,8-hexahydropyrido[4,3-d]pyrimidin-6(2H)-yl]ethanone 1-[(8E)-8-(4-methoxybenzylidene)…

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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) 3.95 9.86 -19.88 2 6 0 63 435.549 4 ↓
Hi High (pH 8-9.5) 3.99 8.64 -51.78 1 6 -1 63 434.541 4 ↓

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

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