UCSF

ZINC34784118

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 28 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) -0.03 9.7 -117.86 4 10 0 166 404.46 19
Hi High (pH 8-9.5) -0.03 8.39 -93.51 3 10 -1 161 403.452 19

Activity (Go SEA)

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