UCSF

ZINC59352939

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 19 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) 2.26 7.31 -12.93 0 6 0 77 254.249 2
Lo Low (pH 4.5-6) 2.26 7.77 -50.2 1 6 1 78 255.257 2

Activity (Go SEA)

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