UCSF

ZINC39303475

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 35 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) 3.69 12.13 -22.25 0 6 0 53 469.585 6
Mid Mid (pH 6-8) 3.69 14.34 -59.78 1 6 1 54 470.593 6

Activity (Go SEA)

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