UCSF

ZINC62321347

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 18 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) -0.49 3.26 -31.41 4 6 1 73 245.31 3
Hi High (pH 8-9.5) -0.49 2.79 -12.75 3 6 0 72 244.302 3
Mid Mid (pH 6-8) -0.49 3.73 -77.81 5 6 2 74 246.318 3

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

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