UCSF

ZINC62943089

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 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) 1.91 10.11 -38.95 3 4 1 46 259.377 2
Hi High (pH 8-9.5) 1.91 8.54 -5.95 2 4 0 45 258.369 2
Mid Mid (pH 6-8) 2.04 10.28 -89.03 4 4 2 45 260.385 3

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

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