UCSF

ZINC39675529

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 33 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) 2.39 10.89 -118.58 4 6 2 70 471.045 6
Hi High (pH 8-9.5) 2.39 7.67 -57.75 3 6 1 69 470.037 6

Activity (Go SEA)

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