UCSF

ZINC39533063

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 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) 1.42 5.38 -15.74 1 6 0 60 383.29 3
Mid Mid (pH 6-8) 1.42 7.52 -54.01 2 6 1 61 384.298 3

Activity (Go SEA)

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