UCSF

ZINC68893570

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 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) 2.77 8.09 -112.06 3 2 2 21 212.381 5
Hi High (pH 8-9.5) 2.77 6.95 -29.51 2 2 1 16 211.373 5
Mid Mid (pH 6-8) 2.77 6.52 -31.99 2 2 1 20 211.373 5

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

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