UCSF

ZINC55085223

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 20 Yes

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) 1.10 3.04 -42.73 3 6 1 81 299.42 4
Mid Mid (pH 6-8) 1.10 1.23 -9.41 2 6 0 80 298.412 4

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

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