UCSF

ZINC37989188

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 2.59 6.76 -42.78 3 4 1 55 282.367 5
Hi High (pH 8-9.5) 2.59 5.39 -8.75 2 4 0 50 281.359 5
Hi High (pH 8-9.5) 2.59 5.41 -8.77 2 4 0 50 281.359 5
Mid Mid (pH 6-8) 2.59 6.79 -41.97 3 4 1 55 282.367 5

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