UCSF

ZINC49567477

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 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) 1.47 2.48 -43.73 3 4 1 49 297.444 7
Hi High (pH 8-9.5) 1.47 1.55 -6.08 2 4 0 45 296.436 7
Mid Mid (pH 6-8) 1.47 4.04 -36.52 3 4 1 46 297.444 7

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

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