UCSF

ZINC52883277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 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) 3.56 8.15 -33.19 3 2 1 30 247.406 4
Hi High (pH 8-9.5) 3.56 6.39 -1.29 2 2 0 29 246.398 4
Lo Low (pH 4.5-6) 3.56 8.4 -118.63 4 2 2 32 248.414 4

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

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