UCSF

ZINC36637386

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 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) 6.53 14.62 -42.6 1 5 1 47 440.633 11
Hi High (pH 8-9.5) 6.53 12.06 -12.2 0 5 0 46 439.625 11

Activity (Go SEA)

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