UCSF

ZINC13555254

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 13 No

Popular Name: (3Z)-5-Chloro-1H-indole-2,3-dione 3-oxime (3Z)-5-Chloro-1H-indole-2,3-dion…

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CAS Numbers: , 85124-16-9

Download: MOL2 SDF SMILES Flexibase

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) 1.36 0.79 -7.55 1 4 0 59 196.593 1 ↓
Ref Reference (pH 7) 1.88 0.39 -9.1 2 4 0 65 196.593 0 ↓
Ref Reference (pH 7) 1.88 1.11 -9.77 2 4 0 65 196.593 0 ↓
Lo Low (pH 4.5-6) 2.54 1.15 -11.98 2 4 0 65 196.593 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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