UCSF

ZINC13914293

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 2008 29 No

CAS Numbers: 238750-77-1 , [238750-77-1]

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) 2.43 6.52 -17.31 4 8 0 125 406.479 10
Hi High (pH 8-9.5) 2.43 7.75 -54.64 3 8 -1 128 405.471 10

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