UCSF

ZINC98092327

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2014 28 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) 0.25 10.89 -42.93 3 6 0 111 379.412 5
Hi High (pH 8-9.5) 0.25 10.66 -54.49 2 6 -1 110 378.404 5

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

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