UCSF

ZINC13541043

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 No

CAS Number: 57468-16-3

Other Names:

MFCD00080123

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) -4.79 3.53 -193.53 12 13 2 229 498.629 14
Hi High (pH 8-9.5) -4.79 3.19 -126.39 11 13 1 227 497.621 14
Hi High (pH 8-9.5) -4.85 3.24 -126.35 11 13 1 230 497.621 13

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