UCSF

ZINC67946336

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 22 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) -0.93 0.14 -77.24 4 8 1 108 303.346 3
Hi High (pH 8-9.5) -0.93 -0.15 -23.77 3 8 0 106 302.338 3

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

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