UCSF

ZINC72131512

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2012 43 No

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) -2.84 -0.14 -93.97 10 14 0 255 602.641 10
Hi High (pH 8-9.5) -2.84 -1.42 -97.79 9 14 -1 250 601.633 10
Hi High (pH 8-9.5) -2.84 -1.81 -117.43 8 14 -2 249 600.625 10
Mid Mid (pH 6-8) -2.84 1.8 -109.46 11 14 1 256 603.649 10

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

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