UCSF

ZINC67514316

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 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) -0.38 1.59 -45.4 3 5 1 58 251.354 5
Hi High (pH 8-9.5) -0.38 1.2 -6.76 2 5 0 56 250.346 5
Lo Low (pH 4.5-6) -0.38 3.87 -108.32 4 5 2 59 252.362 5

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

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