UCSF

ZINC44518773

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 16 No

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) 1.19 8.27 -105.38 2 3 2 26 226.364 2
Mid Mid (pH 6-8) 1.19 6.31 -38.98 1 3 1 25 225.356 2

Activity (Go SEA)

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