UCSF

ZINC53925925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 20 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) 2.79 8.08 -34.99 1 3 1 25 281.464 3
Hi High (pH 8-9.5) 2.79 5.94 -5.79 0 3 0 24 280.456 3
Lo Low (pH 4.5-6) 2.79 10.02 -112.92 2 3 2 26 282.472 3

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

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