UCSF

ZINC37246857

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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) 0.38 0.05 -2.67 1 3 0 24 184.283 1
Lo Low (pH 4.5-6) 0.38 2.29 -32.04 2 3 1 26 185.291 1
Lo Low (pH 4.5-6) 0.38 3.62 -107.78 3 3 2 30 186.299 1

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

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