UCSF

ZINC55067598

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 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) 2.16 9.53 -67.1 1 5 0 65 296.411 4
Mid Mid (pH 6-8) 2.16 7.7 -56.7 0 5 -1 64 295.403 4
Lo Low (pH 4.5-6) 2.16 7.02 -41.45 2 5 1 62 297.419 4

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

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