UCSF

ZINC37109768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.57 5.39 -133.7 4 5 2 60 298.427 8
Mid Mid (pH 6-8) 1.57 3.5 -53.31 3 5 1 59 297.419 8
Mid Mid (pH 6-8) 1.57 5.55 -37.19 3 5 1 58 297.419 8

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Rings

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