UCSF

ZINC62605546

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 19 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) 1.23 3.91 -25.91 2 5 1 50 260.317 3
Hi High (pH 8-9.5) 1.23 3.62 -12.24 1 5 0 48 259.309 3
Lo Low (pH 4.5-6) 1.23 4.96 -53.1 2 5 1 53 260.317 3

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

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