UCSF

ZINC44691070

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) 2.01 5.48 -31.22 2 3 1 26 229.388 5
Mid Mid (pH 6-8) 2.01 6.4 -93.94 3 3 2 30 230.396 5

Activity (Go SEA)

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