UCSF

ZINC98177469

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2014 19 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) 0.88 2.02 -17.13 1 5 0 74 262.309 2
Hi High (pH 8-9.5) 0.88 2.71 -30.94 0 5 -1 76 261.301 2
Hi High (pH 8-9.5) 0.88 2.71 -31.02 0 5 -1 76 261.301 2

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

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