UCSF

ZINC72187794

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2012 10 No

CAS Number: 551-92-8

Other Names:

EMTRYL

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -3.20 5.13 -36.58 0 5 1 55 142.138 1

Vendor Notes

Note Type Comments Provided By
Therapy antiprotozoal SMDC Pharmakon

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

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