UCSF

ZINC59918721

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 20 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) 1.46 5.17 -37.36 3 5 1 66 284.424 7
Hi High (pH 8-9.5) 1.46 3.93 -9.98 2 5 0 61 283.416 7

Activity (Go SEA)

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