UCSF

ZINC38573614

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 2.65 4.85 -18.95 2 7 0 97 380.4 4
Hi High (pH 8-9.5) 2.65 5.84 -57.41 1 7 -1 100 379.392 4

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

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