UCSF

ZINC22992616

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 17 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) 3.79 4.18 -14.85 1 4 0 55 248.307 1
Hi High (pH 8-9.5) 3.79 5.62 -60.19 0 4 -1 57 247.299 1

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

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