UCSF

ZINC69517871

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) -0.16 5.7 -14.04 0 6 0 53 295.383 3
Mid Mid (pH 6-8) -0.16 8.03 -45.69 1 6 1 54 296.391 3

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

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