UCSF

ZINC58312066

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 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) 2.04 5.73 -62.35 3 6 1 69 328.44 7
Hi High (pH 8-9.5) 2.04 4.55 -10.27 2 6 0 64 327.432 7
Mid Mid (pH 6-8) 2.04 5.85 -105.58 4 6 2 70 329.448 7

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

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