UCSF

ZINC39226852

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 22 Yes

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) 0.86 3.44 -44.63 3 6 1 83 305.354 3
Hi High (pH 8-9.5) 0.86 1.25 -11.38 2 6 0 82 304.346 3

Activity (Go SEA)

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