UCSF

ZINC40193176

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 26 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) 3.85 10.32 -11.8 1 5 0 56 351.45 7
Mid Mid (pH 6-8) 3.85 11 -35.31 2 5 1 57 352.458 7

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