UCSF

ZINC49515891

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.10 1.53 -54.83 1 6 0 74 248.286 1
Mid Mid (pH 6-8) 0.10 -0.64 -39.68 0 6 -1 72 247.278 1
Lo Low (pH 4.5-6) -0.36 3.36 -43.08 2 6 1 70 249.294 1

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

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