UCSF

ZINC58380025

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 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) 2.15 5.35 -13.82 0 5 0 64 359.854 6
Mid Mid (pH 6-8) 2.15 7.56 -60.54 1 5 1 66 360.862 6

Activity (Go SEA)

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