UCSF

ZINC71538934

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 21 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) -0.28 -0.44 -116.26 1 10 -2 139 308.279 3
Mid Mid (pH 6-8) -0.28 -0.5 -43.27 2 10 -1 141 309.287 3
Lo Low (pH 4.5-6) -0.28 -0.54 -36.93 2 10 -1 137 309.287 3

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

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