UCSF

ZINC00197513

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 26 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) 4.40 7.9 -26.36 3 5 1 73 350.442 5
Lo Low (pH 4.5-6) 4.40 8.01 -32.4 4 5 0 75 351.45 5
Lo Low (pH 4.5-6) 4.40 7.52 -35.43 4 5 0 75 351.45 5

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

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