UCSF

ZINC69491252

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 1.23 8.49 -36.83 1 6 1 54 349.462 4
Hi High (pH 8-9.5) 1.23 8.29 -15.34 0 6 0 53 348.454 4
Mid Mid (pH 6-8) 1.23 10.74 -90.46 2 6 2 55 350.47 4

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

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