UCSF

ZINC49404198

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 32 Yes

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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) 3.89 11.85 -22.72 1 8 0 92 456.568 8
Hi High (pH 8-9.5) 3.71 10.51 -57.01 0 8 -1 98 455.56 8

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

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