UCSF

ZINC33882641

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 35 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) 1.38 3.24 -9.77 3 9 0 126 495.613 5
Lo Low (pH 4.5-6) 1.38 5.43 -45.75 4 9 1 127 496.621 5

Activity (Go SEA)

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