UCSF

ZINC22041541

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 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) 4.41 10.7 -37.14 1 3 1 11 403.015 4
Hi High (pH 8-9.5) 4.41 8.21 -3.44 0 3 0 10 402.007 4
Mid Mid (pH 6-8) 4.41 12.17 -94.34 2 3 2 12 404.023 4

Activity (Go SEA)

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