UCSF

ZINC41231077

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 0.84 5.17 -35.53 2 4 1 49 219.264 4
Mid Mid (pH 6-8) 0.84 4.66 -10.79 1 4 0 47 218.256 4

Activity (Go SEA)

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