UCSF

ZINC43772565

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 32 Yes

CAS Number: 209860-87-7

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) 4.62 9.92 -12.32 2 5 0 76 452.538 13

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