UCSF

ZINC69183261

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 21 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) 2.72 7.79 -51.82 3 4 1 47 301.439 3
Hi High (pH 8-9.5) 2.72 7.4 -8.37 2 4 0 45 300.431 3
Mid Mid (pH 6-8) 2.72 8.42 -94.86 4 4 2 48 302.447 3

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

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