UCSF

ZINC66074367

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 22 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) 3.75 8.17 -30.61 2 3 1 43 293.39 3
Hi High (pH 8-9.5) 3.93 5.6 -53.88 0 3 -1 48 291.374 3
Hi High (pH 8-9.5) 3.75 7.52 -9.88 1 3 0 41 292.382 3
Mid Mid (pH 6-8) 3.93 7.75 -22.76 1 3 0 49 292.382 3

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

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