UCSF

ZINC62941039

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 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) 1.46 6.37 -48.99 2 5 1 58 286.355 1
Hi High (pH 8-9.5) 1.46 4.8 -9.8 1 5 0 56 285.347 1
Hi High (pH 8-9.5) 1.92 2.84 -49.32 0 5 -1 59 284.339 1

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

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