UCSF

ZINC36637792

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 36 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) 6.68 16.25 -43.64 1 5 1 51 499.635 8
Hi High (pH 8-9.5) 6.68 13.83 -9.66 0 5 0 49 498.627 8

Activity (Go SEA)

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