UCSF

ZINC69237100

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 18 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) 3.74 6.62 -43.54 3 2 1 31 332.331 7
Hi High (pH 8-9.5) 3.74 6.25 -0.82 2 2 0 29 331.323 7
Lo Low (pH 4.5-6) 3.74 8.2 -114.38 4 2 2 32 333.339 7

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

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