UCSF

ZINC71502506

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 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) 2.25 7.62 -50.77 2 7 1 70 369.445 7
Mid Mid (pH 6-8) 2.25 5.79 -33.74 2 7 1 70 369.445 7
Mid Mid (pH 6-8) 2.25 5.45 -17.86 1 7 0 69 368.437 7

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

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