UCSF

ZINC21658109

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 17 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) 2.89 6.84 -12.48 1 3 0 46 242.303 1
Hi High (pH 8-9.5) 3.35 5.71 -43.5 0 3 -1 49 241.295 1

Activity (Go SEA)

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