UCSF

ZINC69090685

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 24 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) 2.37 10.71 -108.97 2 5 2 43 342.468 2
Hi High (pH 8-9.5) 2.37 8.18 -11.23 0 5 0 41 340.452 2
Hi High (pH 8-9.5) 2.37 8.58 -33.18 1 5 1 42 341.46 2
Mid Mid (pH 6-8) 2.37 10.28 -41.18 1 5 1 42 341.46 2

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

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