UCSF

ZINC33700817

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 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) 3.25 8 -30.32 2 4 1 46 342.85 4
Hi High (pH 8-9.5) 3.25 6.71 -7.89 1 4 0 45 341.842 4

Activity (Go SEA)

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