UCSF

ZINC39229372

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 26 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) 1.36 7.53 -38.42 3 6 1 71 355.462 7
Hi High (pH 8-9.5) 1.36 6.22 -10.88 2 6 0 66 354.454 7

Activity (Go SEA)

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