UCSF

ZINC34528241

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 29 No

CAS Numbers: 197777-68-7 , [197777-68-7]

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) 2.94 7.03 -146.4 1 8 -2 128 410.274 2
Mid Mid (pH 6-8) 2.94 5.88 -52.41 2 8 -1 125 411.282 2

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