UCSF

ZINC34531945

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 24 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) 2.38 2.65 -13.24 4 5 0 88 319.364 5
Lo Low (pH 4.5-6) 2.38 3.12 -47.84 5 5 1 89 320.372 5

Activity (Go SEA)

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