UCSF

ZINC69096472

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 19 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) 1.08 5.58 -31.46 2 5 1 46 270.397 6
Hi High (pH 8-9.5) 1.08 2.97 -5.33 1 5 0 45 269.389 6
Mid Mid (pH 6-8) 1.08 6.81 -83.1 3 5 2 51 271.405 6

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

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