UCSF

ZINC39226311

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 34 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) 3.37 13.54 -90.02 2 6 2 55 463.622 3
Mid Mid (pH 6-8) 3.37 11.19 -45.33 1 6 1 54 462.614 3

Activity (Go SEA)

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