UCSF

ZINC02093283

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 29 No

Popular Name: 2-{2-[(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)amino]ethoxy}ethyl 4-chlorobenzoate 2-{2-[(3-chloro-1,4-dioxo-1,4-di…

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CAS Number: 331462-33-0

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) 3.60 9.86 -11.48 0 6 0 82 434.275 8 ↓
Mid Mid (pH 6-8) 3.60 8.72 -12.41 0 6 0 82 434.275 8 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 106 - 108 KeyOrganics

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Rings

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

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