UCSF

ZINC40433898

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 26 No

CAS Numbers: 112665-43-7 , 85371-64-8

Other Names:

Seratrodast

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) 4.49 12.86 -48.96 0 4 -1 74 357.47 8
Lo Low (pH 4.5-6) 4.49 10.89 -9.92 1 4 0 71 358.478 8

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

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