UCSF

ZINC62321888

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.43 6.23 -41.56 2 7 1 80 398.549 11
Hi High (pH 8-9.5) 1.43 3.74 -14.22 1 7 0 79 397.541 11

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

No pre-computed analogs available. Try a structural similarity search.