UCSF

ZINC28228153

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 23 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) 2.18 6.87 -11.71 1 5 0 56 309.369 6
Mid Mid (pH 6-8) 2.18 7.26 -35.77 2 5 1 57 310.377 6

Activity (Go SEA)

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