UCSF

ZINC19393296

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 14 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) 1.64 5.57 -44.42 4 2 1 43 187.266 3
Hi High (pH 8-9.5) 1.64 5.01 -5.32 3 2 0 38 186.258 3
Mid Mid (pH 6-8) 1.64 4.82 -45.73 4 2 1 40 187.266 3

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

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