UCSF

ZINC04737004

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 26 No

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) 2.98 10.6 -13.08 1 5 0 60 370.281 2
Mid Mid (pH 6-8) 3.32 10.14 -33.95 0 5 -1 61 369.273 2
Mid Mid (pH 6-8) 3.16 10.52 -31.6 0 5 -1 61 369.273 2

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

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