UCSF

ZINC42454839

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.99 3.72 -9.43 2 4 0 62 233.315 6
Mid Mid (pH 6-8) 1.99 5.84 -46.03 3 4 1 63 234.323 6

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Rings

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