UCSF

ZINC71554394

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 26 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) 2.41 5.83 -13.62 1 7 0 72 371.466 4
Mid Mid (pH 6-8) 2.41 8.56 -53.97 2 7 1 73 372.474 4
Lo Low (pH 4.5-6) 2.41 9 -79.41 3 7 2 74 373.482 4

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

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