UCSF

ZINC62029466

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 17 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) 1.66 3.47 -52.76 3 3 1 40 257.785 7
Lo Low (pH 4.5-6) 1.66 5.35 -126.38 4 3 2 41 258.793 7

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Rings

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