UCSF

ZINC52345180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 1.00 6.86 -33.3 1 5 1 49 266.365 6
Hi High (pH 8-9.5) 1.00 6.5 -9.39 0 5 0 47 265.357 6
Lo Low (pH 4.5-6) 1.00 8.68 -39.65 1 5 1 49 266.365 6

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

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