UCSF

ZINC71554691

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) 1.74 5.92 -14.84 1 6 0 63 327.413 2
Mid Mid (pH 6-8) 1.74 8.65 -56.3 2 6 1 64 328.421 2
Lo Low (pH 4.5-6) 1.74 9.09 -83.35 3 6 2 65 329.429 2

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

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