UCSF

ZINC65504341

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 0.25 -1.4 -57.52 4 8 1 110 329.384 5
Lo Low (pH 4.5-6) 0.25 0.05 -127.53 5 8 2 114 330.392 5

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

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