UCSF

ZINC36198564

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) -0.05 7.84 -71.71 0 6 -1 81 283.348 6
Lo Low (pH 4.5-6) -0.05 5.36 -18.62 1 6 0 78 284.356 6

Activity (Go SEA)

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