UCSF

ZINC22057109

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 No

CAS Number: 15406-98-1

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) 8.47 11.69 -24.48 2 3 1 35 473.679 5
Mid Mid (pH 6-8) 8.47 10.96 -2.57 1 3 0 34 472.671 5

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

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