UCSF

ZINC65356307

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2011 18 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) -0.74 -4.67 -43.25 1 7 -1 83 250.282 1
Lo Low (pH 4.5-6) -0.74 -2.48 -50.13 2 7 0 85 251.29 1

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

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