UCSF

ZINC40187687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 38 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) 6.23 15.18 -17 1 7 0 75 513.638 12
Mid Mid (pH 6-8) 6.23 15.73 -39.47 2 7 1 76 514.646 12

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