UCSF

ZINC13671354

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 18 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) 1.50 7.15 -16.52 2 5 0 70 239.282 3
Lo Low (pH 4.5-6) 1.50 3.06 -39.21 3 5 1 71 240.29 3

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

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