UCSF

ZINC49016522

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 25 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) 0.44 2.17 -58.37 4 6 1 83 345.419 1
Hi High (pH 8-9.5) 0.44 0.32 -10.95 3 6 0 82 344.411 1

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