UCSF

ZINC41679682

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.33 6.46 -88.64 5 4 2 61 293.455 9
Mid Mid (pH 6-8) 1.33 6.14 -40.15 4 4 1 60 292.447 9

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Rings

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