UCSF

ZINC09545258

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2007 31 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) 6.60 1.97 -15.98 0 4 0 46 450.007 5
Lo Low (pH 4.5-6) 6.60 2 -46.68 1 4 1 47 451.015 5

Activity (Go SEA)

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