UCSF

ZINC41682186

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 No

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) 1.25 4.11 -67.56 2 8 0 119 317.367 8
Mid Mid (pH 6-8) 1.25 3.13 -51.76 3 8 1 117 318.375 8

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Rings

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