UCSF

ZINC41191167

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 20 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) 3.86 8.96 -31.64 2 2 1 29 287.452 4
Mid Mid (pH 6-8) 3.86 7.74 -4.15 1 2 0 25 286.444 4

Activity (Go SEA)

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