UCSF

ZINC49554699

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 19 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) 1.84 1.3 -36.09 5 7 1 118 300.389 2
Hi High (pH 8-9.5) 0.91 0.62 -47.38 3 7 -1 116 298.373 3
Mid Mid (pH 6-8) 1.84 1.15 -13.02 4 7 0 117 299.381 2
Mid Mid (pH 6-8) 0.91 0.77 -45.78 4 7 0 117 299.381 3

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

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