UCSF

ZINC12525727

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 24 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) 1.33 5.24 -23.66 2 7 0 93 351.338 4
Mid Mid (pH 6-8) 1.79 4.09 -47.83 3 7 1 94 352.346 4

Activity (Go SEA)

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