UCSF

ZINC98215067

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2014 24 Yes

CAS Number: 139110-80-8

Other Names:

MFCD00866966

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) -2.83 -4.26 -63.49 9 12 0 212 348.312 9
Lo Low (pH 4.5-6) -2.83 -6.38 -45.46 10 12 1 209 349.32 9

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

No pre-computed analogs available. Try a structural similarity search.