UCSF

ZINC96006014

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2014 67 No

Popular Name: USP USP

Find On: PubMed — Wikipedia — Google

CAS Number: 64228-81-5

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) -1.59 24.69 -108.04 0 14 2 126 929.161 26 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.32e-05 g/l DrugBank-approved

Activity (Go SEA)

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

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