UCSF

ZINC19961889

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 35 Yes

Download: MOL2 SDF SMILES Flexibase

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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) 3.52 9.88 -52.17 3 8 1 86 482.58 7
Hi High (pH 8-9.5) 3.52 7.67 -23.68 2 8 0 85 481.572 7

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