UCSF

ZINC42449224

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 0.46 2.82 -43.46 3 3 1 44 197.302 5
Mid Mid (pH 6-8) 0.46 4.77 -109.69 4 3 2 45 198.31 5

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Rings

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