UCSF

ZINC62966467

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) 1.49 7.25 -45.69 1 4 1 26 257.789 3
Mid Mid (pH 6-8) 1.49 4.86 -6.81 0 4 0 24 256.781 3
Lo Low (pH 4.5-6) 1.49 7.38 -84.92 2 4 2 27 258.797 3

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

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