UCSF

ZINC13682258

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 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) 3.62 3.79 -20.6 3 9 0 131 489.575 8
Hi High (pH 8-9.5) 3.62 3.86 -51 2 9 -1 133 488.567 8
Hi High (pH 8-9.5) 3.62 3.86 -44.34 2 9 -1 133 488.567 8
Hi High (pH 8-9.5) 3.62 3.93 -95.96 1 9 -2 135 487.559 8

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

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