UCSF

ZINC54962307

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 10 Yes

CAS Number: 52031-15-9

Other Names:

MFCD08544521

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) 2.62 6.35 -4.09 0 0 0 0 134.153 0
Mid Mid (pH 6-8) 2.62 6.35 -3.51 0 0 0 0 134.153 0

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

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