UCSF

ZINC23070964

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 20 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) 2.25 7.05 -42.4 3 3 1 46 278.416 7
Hi High (pH 8-9.5) 2.25 6.66 -3.78 2 3 0 44 277.408 7

Activity (Go SEA)

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