UCSF

ZINC26901159

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 20 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) 2.28 7.29 -40.65 2 4 1 43 342.257 7
Hi High (pH 8-9.5) 2.28 4.83 -9.68 1 4 0 42 341.249 7

Activity (Go SEA)

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