UCSF

ZINC71572002

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.50 9.22 -15.93 1 3 0 38 286.334 2
Hi High (pH 8-9.5) 4.50 9.95 -56.61 0 3 -1 40 285.326 2
Mid Mid (pH 6-8) 4.50 9.66 -30.82 2 3 1 39 287.342 2

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

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