UCSF

ZINC20319899

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 20 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) 1.57 4.78 -16.61 1 6 0 63 272.308 4
Mid Mid (pH 6-8) 1.39 5.45 -38.37 2 6 1 61 273.316 4
Mid Mid (pH 6-8) 1.39 5.47 -8.93 1 6 0 59 272.308 4
Lo Low (pH 4.5-6) 1.57 6.96 -50.63 2 6 1 64 273.316 4

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

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