UCSF

ZINC62973844

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) 0.72 1.13 -37.8 2 4 1 32 242.387 5
Mid Mid (pH 6-8) 0.72 3.33 -102.96 3 4 2 34 243.395 5
Mid Mid (pH 6-8) 0.72 3.34 -83.99 3 4 2 34 243.395 5
Lo Low (pH 4.5-6) 0.72 5.54 -194.45 4 4 3 35 244.403 5

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

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