UCSF

ZINC09422948

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 29 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) 3.64 8.16 -10.75 0 5 0 56 404.853 3
Lo Low (pH 4.5-6) 3.64 1.02 -126.61 2 5 2 58 406.869 3

Activity (Go SEA)

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