UCSF

ZINC54894777

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 16 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) 0.03 5 -46.54 3 3 1 44 256.42 1
Mid Mid (pH 6-8) 0.03 4.68 -5.1 2 3 0 42 255.412 1
Mid Mid (pH 6-8) 0.03 5.4 -98.1 4 3 2 45 257.428 1

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

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