UCSF

ZINC22687694

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 20 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 -0.08 -37.26 1 6 -1 81 291.356 5
Mid Mid (pH 6-8) 1.08 2.19 -51.35 2 6 0 82 292.364 5
Lo Low (pH 4.5-6) 0.63 3.01 -51.27 3 6 1 79 293.372 5

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

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