UCSF

ZINC39908857

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.80 6.92 -11 1 6 0 80 450.672 2
Hi High (pH 8-9.5) 3.80 7.83 -47.86 0 6 -1 83 449.664 2

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