UCSF

ZINC49510367

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 15 No

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) 0.60 1.87 -27.87 2 4 1 38 230.357 4
Mid Mid (pH 6-8) 0.60 1.1 -6.88 1 4 0 37 229.349 3
Mid Mid (pH 6-8) 0.60 4.19 -94.69 3 4 2 40 231.365 3
Mid Mid (pH 6-8) 0.60 4.21 -92.5 3 4 2 40 231.365 4

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

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