UCSF

ZINC39500361

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 22 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) 2.70 5.08 -12.06 0 4 0 45 301.365 3
Mid Mid (pH 6-8) 2.70 6.08 -52.4 1 4 1 47 302.373 3

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

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