UCSF

ZINC62944976

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 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) 2.23 8.65 -42.82 2 4 1 38 285.415 3
Hi High (pH 8-9.5) 2.23 7.2 -5.25 1 4 0 33 284.407 3
Mid Mid (pH 6-8) 2.23 8.79 -97.98 3 4 2 39 286.423 3

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

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