UCSF

ZINC13424691

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 36 No

Popular Name: (4Z)-4-[[[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]amino]methylene]-2-(3,4-dimethylphenyl)isoquinol (4Z)-4-[[[5-chloro-2-(4-methylpi…

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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) 5.54 16.1 -46.48 2 6 1 59 502.038 4 ↓
Hi High (pH 8-9.5) 5.54 13.74 -14.93 1 6 0 58 501.03 4 ↓
Hi High (pH 8-9.5) 5.54 13.76 -14.22 1 6 0 58 501.03 4 ↓

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

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