UCSF

ZINC51105828

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 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) 1.24 1.96 -16.88 3 6 0 85 346.214 5
Lo Low (pH 4.5-6) 1.24 4.22 -55.64 4 6 1 86 347.222 5

Activity (Go SEA)

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