UCSF

ZINC20205837

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 27 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) 3.60 9.64 -37.78 1 4 1 20 374.593 8
Mid Mid (pH 6-8) 3.60 11.95 -91.21 2 4 2 21 375.601 8
Mid Mid (pH 6-8) 3.60 10.34 -40.27 1 4 1 20 374.593 8
Mid Mid (pH 6-8) 3.60 11.9 -119.72 2 4 2 21 375.601 8

Activity (Go SEA)

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