UCSF

ZINC95923470

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2014 13 No

CAS Number: 130749-76-7

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) -1.54 1.09 -41.15 0 6 -1 85 182.159 1
Lo Low (pH 4.5-6) -1.54 -0.31 -20.96 1 6 0 82 183.167 1
Lo Low (pH 4.5-6) -2.06 1.92 -16.77 1 6 0 79 183.167 0

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

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