UCSF

ZINC04365610

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 26 No

Popular Name: C.I. 21000 C.I. 21000

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CAS Numbers: 10114-58-6 , [10114-58-6] , [1052-38-6]

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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) 3.27 -0.27 -12.98 8 8 0 154 346.398 4 ↓
Ref Reference (pH 7) 3.27 0.98 -14.26 8 8 0 154 346.398 4 ↓

Activity (Go SEA)

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