UCSF

ZINC59416203

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 30 No

Popular Name: 6,6-dimethyl-3-[2-oxo-2-(4,4,7-trimethyl-1-thioxo-dithiolo[3,4-c]quinolin-5-yl)ethyl]sulfanyl-1,4-di 6,6-dimethyl-3-[2-oxo-2-(4,4,7-t…

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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) 4.16 8.64 -52.21 1 6 -1 80 477.682 3 ↓
Mid Mid (pH 6-8) 3.97 10.57 -19.96 2 6 0 74 478.69 3 ↓

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

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