UCSF

ZINC49785787

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 46 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) 3.27 5.06 -130.34 7 9 2 124 623.75 2
Hi High (pH 8-9.5) 3.27 2.75 -60.68 6 9 1 123 622.742 2

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