UCSF

ZINC38587581

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 14 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) 1.49 5.37 -45.93 3 3 1 54 220.358 8
Mid Mid (pH 6-8) 1.49 5.03 -5.79 2 3 0 52 219.35 8

Activity (Go SEA)

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