UCSF

ZINC66251087

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2011 30 No

Popular Name: 1-(4-bromophenyl)-3-[2-[2-[[3-(4-bromophenyl)-3-oxo-propyl]amino]ethyldisulfanyl]ethylamino]propan-1 1-(4-bromophenyl)-3-[2-[2-[[3-(4…

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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) 4.66 14.46 -126.92 4 4 2 67 576.42 15 ↓
Hi High (pH 8-9.5) 4.66 11.76 -13.61 2 4 0 58 574.404 15 ↓
Mid Mid (pH 6-8) 4.66 13.11 -60.67 3 4 1 63 575.412 15 ↓

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

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