UCSF

ZINC27418383

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 26 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) 0.05 7.8 -115.08 2 6 0 82 359.401 6
Mid Mid (pH 6-8) -2.70 6.85 -84.38 3 6 1 85 360.409 5

Activity (Go SEA)

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