UCSF

ZINC36331173

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 46 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) 3.74 12.19 -62.05 4 12 1 179 641.738 11
Mid Mid (pH 6-8) 3.74 11.89 -19.49 3 12 0 178 640.73 11
Lo Low (pH 4.5-6) 3.74 12.65 -102.26 5 12 2 180 642.746 11

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

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