UCSF

ZINC39970452

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 25 No

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) 3.03 8.59 -10.25 1 4 0 28 359.47 6
Mid Mid (pH 6-8) 3.03 10.82 -48.66 2 4 1 29 360.478 6

Activity (Go SEA)

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