UCSF

ZINC67975690

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 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) 3.34 10.19 -51.88 2 4 1 46 355.412 5
Mid Mid (pH 6-8) 3.34 7.98 -11.36 1 4 0 45 354.404 5
Lo Low (pH 4.5-6) 3.34 10.64 -106.49 3 4 2 47 356.42 5

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

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