UCSF

ZINC39229392

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 36 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) 5.03 14.49 -53.08 3 5 1 62 477.632 8
Mid Mid (pH 6-8) 5.03 13.22 -11.9 2 5 0 57 476.624 8

Activity (Go SEA)

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