UCSF

ZINC41071142

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 18 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) 0.69 1.29 -13.43 4 8 0 126 286.342 3
Mid Mid (pH 6-8) -0.24 0.71 -43.67 3 8 -1 125 285.334 4
Lo Low (pH 4.5-6) 0.69 1.77 -36.58 5 8 1 127 287.35 3

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

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