UCSF

ZINC44972280

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 21 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) 0.82 6.52 -9.33 2 7 0 84 307.427 5
Mid Mid (pH 6-8) 0.82 8.85 -36.29 3 7 1 85 308.435 5
Lo Low (pH 4.5-6) 0.82 7.36 -31.4 3 7 1 85 308.435 5

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

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