UCSF

ZINC54826387

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 15 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) 0.83 7 -63.25 2 4 1 58 205.285 4
Hi High (pH 8-9.5) 0.83 5.77 -11.22 1 4 0 54 204.277 4
Mid Mid (pH 6-8) 0.83 6.28 -36.81 2 4 1 55 205.285 4
Mid Mid (pH 6-8) 0.83 7.51 -116.74 3 4 2 59 206.293 4

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

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