UCSF

ZINC49342623

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 19 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) 3.30 7.57 -63.6 0 3 -1 33 334.218 1
Mid Mid (pH 6-8) 2.57 6.05 -14.29 1 3 0 36 335.226 1

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

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