UCSF

ZINC40181389

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 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) 2.51 9.85 -21.1 1 6 0 77 384.439 7
Lo Low (pH 4.5-6) 2.51 10.26 -45.89 2 6 1 78 385.447 7

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