UCSF

ZINC52562365

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 2.23 8.65 -10.02 0 6 0 47 381.476 3
Mid Mid (pH 6-8) 2.23 10.37 -39.06 1 6 1 48 382.484 3

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

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