UCSF

ZINC50065223

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 21 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) 0.99 5.38 -14.74 1 6 0 75 289.335 7
Mid Mid (pH 6-8) 1.45 4.9 -51.98 1 6 0 80 289.335 7
Mid Mid (pH 6-8) 0.99 7.68 -55.56 2 6 1 76 290.343 7

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

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