UCSF

ZINC49568718

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 1.03 -44.44 3 3 1 34 210.345 2
Hi High (pH 8-9.5) 0.19 4.73 -98.34 4 3 2 35 211.353 2
Mid Mid (pH 6-8) 0.19 3.54 -83.53 4 3 2 35 211.353 2
Mid Mid (pH 6-8) 0.19 2.6 -106.17 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.