UCSF

ZINC67983054

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 24 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) 0.96 9.23 -49.35 3 6 1 72 321.408 4
Lo Low (pH 4.5-6) 0.96 10.05 -92.08 4 6 2 73 322.416 4

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

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