UCSF

ZINC20071468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.76 3.79 -36.18 2 3 1 29 225.356 2
Mid Mid (pH 6-8) 2.76 5.85 -121.66 3 3 2 30 226.364 2

Activity (Go SEA)

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