UCSF

ZINC49568719

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 15 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) 0.19 0 -44.9 3 3 1 34 210.345 2
Hi High (pH 8-9.5) 0.19 4.61 -99.62 4 3 2 35 211.353 2
Mid Mid (pH 6-8) 0.19 2.44 -104.92 4 3 2 35 211.353 2
Mid Mid (pH 6-8) 0.19 2.57 -84.34 4 3 2 35 211.353 2

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

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