UCSF

ZINC62968655

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) -0.19 2.34 -94.27 5 5 2 67 256.394 6
Hi High (pH 8-9.5) -0.19 -0.06 -38.96 4 5 1 66 255.386 6
Hi High (pH 8-9.5) -0.19 -1.68 -5.37 3 5 0 62 254.378 6

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

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