UCSF

ZINC75629584

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2012 25 No

CAS Number: 905281-76-7

Other Names:

MFCD13184805

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) 1.30 3.73 -10.23 2 6 0 84 334.379 4
Lo Low (pH 4.5-6) 1.30 4.18 -43.39 3 6 1 85 335.387 4

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

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