UCSF

ZINC22010055

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 Yes

CAS Numbers: 131-06-6 , 316-46-1

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) -1.68 -5.41 -23.9 4 8 0 125 262.193 2
Hi High (pH 8-9.5) -1.22 -7.22 -64.24 3 8 -1 128 261.185 2

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

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