UCSF

ZINC60018448

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 26 Yes

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) 1.64 -0.21 -14.75 5 7 0 114 378.812 6
Hi High (pH 8-9.5) 1.64 0.8 -56.57 4 7 -1 117 377.804 6
Mid Mid (pH 6-8) 1.64 1.21 -64.05 6 7 1 119 379.82 6

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

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