UCSF

ZINC66074605

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 29 No

Popular Name: N'-[(4S)-4-(4-chlorophenyl)-3-cyano-7-(diethylamino)-4H-chromen-2-yl]-N,N-dimethyl-formamidine N'-[(4S)-4-(4-chlorophenyl)-3-cy…

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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) 4.72 13.4 -11.5 0 5 0 52 408.933 6 ↓
Mid Mid (pH 6-8) 4.72 13.99 -35.36 1 5 1 53 409.941 6 ↓
Lo Low (pH 4.5-6) 4.72 14.02 -47.79 2 5 0 55 410.949 6 ↓

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

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