UCSF

ZINC71554334

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 25 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) 2.04 4.91 -13.76 1 7 0 72 357.439 3
Mid Mid (pH 6-8) 2.04 7.64 -54.07 2 7 1 73 358.447 3
Lo Low (pH 4.5-6) 2.04 8.07 -79.53 3 7 2 74 359.455 3

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

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