UCSF

ZINC42136893

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 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) 1.05 8.62 -72.13 2 7 0 89 285.307 6
Mid Mid (pH 6-8) 1.05 8.1 -62.85 1 7 -1 87 284.299 6
Mid Mid (pH 6-8) 1.05 9.06 -82.19 3 7 1 90 286.315 6

Activity (Go SEA)

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

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