UCSF

ZINC42454738

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 21 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) 1.07 4.3 -47 4 6 1 93 291.375 6
Mid Mid (pH 6-8) 1.07 2.3 -16.13 3 6 0 91 290.367 6

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Rings

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