UCSF

ZINC36490119

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 39 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) 5.36 11.87 -15.76 2 7 0 91 516.601 7
Hi High (pH 8-9.5) 5.36 12.84 -40.77 1 7 -1 94 515.593 7

Activity (Go SEA)

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