UCSF

ZINC13132375

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 22 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) 2.76 6.25 -11.2 1 6 0 77 301.346 4
Mid Mid (pH 6-8) 2.22 6.02 -10.82 1 5 0 59 304.39 5

Activity (Go SEA)

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