UCSF

ZINC66074603

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 28 No

Popular Name: (5S)-5-(4-chlorophenyl)-N,N-diethyl-4-imino-3-methyl-5H-chromeno[2,3-d]pyrimidin-8-amine (5S)-5-(4-chlorophenyl)-N,N-diet…

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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) 1.03 11.68 -55.48 3 5 0 56 396.922 4 ↓
Hi High (pH 8-9.5) 3.31 11.65 -11.7 1 5 0 54 394.906 4 ↓
Mid Mid (pH 6-8) 1.03 11.58 -37.46 2 5 1 55 395.914 4 ↓

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

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