UCSF

ZINC69944317

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 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) 2.07 5.03 -47.39 3 3 1 44 220.34 2
Hi High (pH 8-9.5) 2.07 4.63 -3.51 2 3 0 42 219.332 2
Mid Mid (pH 6-8) 2.07 5.48 -106.15 4 3 2 45 221.348 2

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

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