UCSF

ZINC54826727

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 16 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) 1.16 7.49 -50.29 2 4 1 58 219.312 4
Hi High (pH 8-9.5) 1.16 6.45 -9.2 1 4 0 54 218.304 4
Mid Mid (pH 6-8) 1.16 6.96 -40.97 2 4 1 55 219.312 4
Mid Mid (pH 6-8) 1.16 8 -112.32 3 4 2 59 220.32 4

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

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