UCSF

ZINC32005281

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 2.10 5.39 -21.41 1 5 0 68 301.22 5
Hi High (pH 8-9.5) 3.40 5 -38.9 0 5 -1 71 300.212 5

Activity (Go SEA)

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