UCSF

ZINC67560513

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 28 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) 2.08 6.28 -43.16 2 6 1 55 390.548 8
Mid Mid (pH 6-8) 2.08 6.21 -39.61 2 6 1 55 390.548 8
Lo Low (pH 4.5-6) 2.08 8.47 -110.75 3 6 2 56 391.556 8

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

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