UCSF

ZINC98246402

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2015 33 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) 0.15 -5.22 -18.23 6 11 0 175 464.423 5
Hi High (pH 8-9.5) 0.15 -4.23 -67.87 5 11 -1 178 463.415 5

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

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