UCSF

ZINC36865560

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 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) 0.41 6.72 -10.28 1 5 0 46 228.321 1
Mid Mid (pH 6-8) 1.14 6.82 -42.83 0 5 -1 43 227.313 1

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

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