UCSF

ZINC32126990

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 Yes

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) 2.06 6.28 -110.24 4 4 2 51 282.428 9
Mid Mid (pH 6-8) 2.06 5.02 -38.02 3 4 1 46 281.42 9

Activity (Go SEA)

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