UCSF

ZINC49569440

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 20 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) 2.46 9.76 -48.25 3 4 1 48 275.351 1
Hi High (pH 8-9.5) 2.46 8.67 -10.84 2 4 0 47 274.343 1
Lo Low (pH 4.5-6) 2.46 10.23 -89.81 4 4 2 50 276.359 1

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

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