UCSF

ZINC39267398

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 36 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) 4.80 15.78 -39.27 1 7 1 63 482.608 6
Mid Mid (pH 6-8) 4.80 16.15 -16.88 0 7 0 62 481.6 6

Activity (Go SEA)

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