UCSF

ZINC41232259

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) 3.13 6.25 -50.54 3 1 1 28 220.242 2
Mid Mid (pH 6-8) 3.13 5.94 -7.27 2 1 0 26 219.234 2

Activity (Go SEA)

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