UCSF

ZINC31978297

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 2.58 5.71 -9.17 0 4 0 32 286.404 3
Hi High (pH 8-9.5) 2.58 6.19 -47.73 0 4 -1 32 285.396 3
Lo Low (pH 4.5-6) 2.58 5.79 -34.81 1 4 1 34 287.412 3

Activity (Go SEA)

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