UCSF

ZINC62968625

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 0.76 5.48 -86 3 5 2 51 271.405 8
Hi High (pH 8-9.5) 0.76 1.53 -5.46 1 5 0 45 269.389 8
Mid Mid (pH 6-8) 0.76 4.56 -35.92 2 5 1 46 270.397 8
Lo Low (pH 4.5-6) 0.76 7.85 -200.9 4 5 3 52 272.413 8

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

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