UCSF

ZINC03819294

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 34 Yes

CAS Numbers: 623142-96-1 , [623142-96-1]

Other Names:

Ki20227(+/-)

MFCD12024693

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) 3.66 -2.81 -14.58 2 9 0 103 480.546 8

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

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