UCSF

ZINC71540292

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 23 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) 0.47 5.94 -49.75 2 8 -1 120 317.325 8
Hi High (pH 8-9.5) 0.93 4.08 -100.43 1 8 -2 123 316.317 8
Lo Low (pH 4.5-6) 0.47 3.96 -14.01 3 8 0 117 318.333 8

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

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