UCSF

ZINC09295624

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 18 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) 1.60 -4.37 -13.7 3 5 0 80 276.346 2
Lo Low (pH 4.5-6) 1.60 -4.29 -45.06 4 5 1 82 277.354 2

Activity (Go SEA)

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