UCSF

ZINC65575972

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 24 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) 1.93 3.21 -13.21 0 7 0 77 323.356 4
Mid Mid (pH 6-8) 1.93 5.46 -51.3 1 7 1 78 324.364 4

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

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