UCSF

ZINC39200304

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2010 33 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) 3.06 9.21 -14.77 1 7 0 73 450.583 8
Mid Mid (pH 6-8) 3.06 11.76 -53.63 2 7 1 74 451.591 8

Activity (Go SEA)

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