UCSF

ZINC62965915

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) -0.09 3.32 -40.37 4 6 1 83 263.369 3
Hi High (pH 8-9.5) -0.09 0.92 -7.87 3 6 0 82 262.361 3
Mid Mid (pH 6-8) -0.09 3.26 -106.93 5 6 2 85 264.377 3

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

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