UCSF

ZINC22358378

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2008 26 No

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) 5.21 8.48 -47.03 0 4 -1 54 449.371 6
Lo Low (pH 4.5-6) 4.75 9.57 -11.88 1 4 0 51 450.379 6

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

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