UCSF

ZINC35223114

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 17 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) 0.32 1.73 -65.26 2 5 1 77 259.351 3
Mid Mid (pH 6-8) 0.32 0.55 -16.56 1 5 0 72 258.343 3

Activity (Go SEA)

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