UCSF

ZINC40176741

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 33 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) 2.52 2.2 -20.4 2 10 0 133 497.595 8
Hi High (pH 8-9.5) 2.52 3.21 -56.77 1 10 -1 136 496.587 8

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