UCSF

ZINC23359287

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 35 No

Popular Name: 3-chloro-N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-5-methyl-4-[(4-methylpiperazin-1-yl)methyl 3-chloro-N-[4-chloro-2-[(4-chlor…

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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) 5.35 11.33 -41.71 3 6 1 66 552.935 6 ↓
Mid Mid (pH 6-8) 5.35 11.22 -43.46 3 6 1 66 552.935 6 ↓
Mid Mid (pH 6-8) 5.35 8.87 -12.76 2 6 0 65 551.927 6 ↓

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

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