UCSF

ZINC40181833

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 36 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.85 16.78 -15.64 0 5 0 47 475.592 7
Mid Mid (pH 6-8) 5.85 17.27 -44.82 1 5 1 49 476.6 7

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