UCSF

ZINC39962984

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.60 9.89 -13.27 1 5 0 64 404.278 2
Hi High (pH 8-9.5) 3.67 8.35 -55.66 0 5 -1 70 403.27 2

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