UCSF

ZINC00485750

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 25 Yes

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) 1.43 10.27 -45.67 2 7 1 77 342.423 7
Hi High (pH 8-9.5) 1.88 7.56 -63.09 1 7 0 80 341.415 7

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

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