UCSF

ZINC38596318

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 27 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) 1.26 4.87 -106.3 5 8 2 117 374.441 6
Hi High (pH 8-9.5) 1.26 2.71 -36.98 4 8 1 116 373.433 6

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

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