UCSF

ZINC62952992

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) 2.49 6.09 -32.74 2 3 1 26 255.426 4
Hi High (pH 8-9.5) 2.49 4.33 -0.67 1 3 0 24 254.418 4
Hi High (pH 8-9.5) 2.49 5.08 -34.04 2 3 1 29 255.426 4
Lo Low (pH 4.5-6) 2.49 7 -112.67 3 3 2 30 256.434 4

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

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