UCSF

ZINC67434009

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.84 6.46 -37.54 1 6 1 50 336.456 3
Mid Mid (pH 6-8) 1.84 6.58 -45.07 1 6 1 50 336.456 3
Lo Low (pH 4.5-6) 1.84 8.84 -107.3 2 6 2 52 337.464 3

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

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