UCSF

ZINC22066547

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 20 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) -1.69 2.21 -112.2 2 7 -2 130 279.248 7
Lo Low (pH 4.5-6) -1.69 1.09 -61.91 3 7 -1 127 280.256 7

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

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