UCSF

ZINC34971232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 37 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) 5.24 14.09 -12.64 0 5 0 42 494.635 10
Mid Mid (pH 6-8) 5.24 16.35 -47.67 1 5 1 43 495.643 10

Activity (Go SEA)

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