UCSF

ZINC61458279

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 19 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) 1.27 5.19 -29.29 4 5 1 76 263.365 4
Mid Mid (pH 6-8) 1.27 4.77 -6.45 3 5 0 75 262.357 4
Lo Low (pH 4.5-6) 1.27 5.27 -84.77 5 5 2 78 264.373 4

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

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