UCSF

ZINC36386949

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 13 Yes

CAS Numbers: 145-73-3 , 62059-43-2

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) -0.23 3.88 -112.65 0 5 -2 89 184.147 2
Lo Low (pH 4.5-6) -0.23 1.74 -47.98 1 5 -1 87 185.155 2

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

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