UCSF

ZINC36118724

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 Yes

Popular Name: N-[2-(4-chlorophenyl)ethyl]-4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]cyclohexan N-[2-(4-chlorophenyl)ethyl]-4-[[…

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Annotations

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Vendors

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) -0.18 8.33 -34.11 3 6 1 81 444.983 7 ↓
Hi High (pH 8-9.5) 0.46 6.41 -25.7 2 6 0 88 443.975 6 ↓
Mid Mid (pH 6-8) 0.46 6.67 -98.58 4 6 2 87 445.991 6 ↓

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

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