UCSF

ZINC39849416

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 34 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) 3.56 12.65 -73.33 1 7 0 87 464.562 13
Lo Low (pH 4.5-6) 3.56 11.75 -45.05 2 7 1 84 465.57 13

Activity (Go SEA)

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