UCSF

ZINC62321266

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 25 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) 2.62 7.81 -13.08 1 5 0 70 397.228 1
Hi High (pH 8-9.5) 3.52 6.59 -52.8 0 5 -1 73 396.22 1

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

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