UCSF

ZINC17129550

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 26 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) 1.54 5.09 -34.58 3 8 0 106 377.784 6
Hi High (pH 8-9.5) 1.73 4.27 -54.02 2 8 -1 112 376.776 6
Hi High (pH 8-9.5) 1.73 4.32 -53.21 2 8 -1 112 376.776 6

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