UCSF

ZINC72189953

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2012 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 4.38 12.01 -16.57 0 6 0 82 437.517 6
Mid Mid (pH 6-8) 4.56 11.94 -18.48 0 6 0 82 437.517 6
Mid Mid (pH 6-8) 4.54 11.68 -12.95 0 6 0 82 437.517 6

Activity (Go SEA)

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