UCSF

ZINC41045241

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 15 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) 0.83 3.1 -9.06 1 4 0 49 207.277 2
Mid Mid (pH 6-8) 0.83 3.2 -27.77 2 4 1 50 208.285 2

Activity (Go SEA)

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