UCSF

ZINC05925568

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 19 No

CAS Number: 134998-72-4

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) 2.00 9.66 -50.37 0 5 -1 84 271.333 12
Lo Low (pH 4.5-6) 2.00 7.69 -13.19 1 5 0 81 272.341 12

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

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