UCSF

ZINC35720337

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) 0.89 5.63 -49.23 1 5 -1 82 249.29 7
Lo Low (pH 4.5-6) 0.89 6.09 -73.19 2 5 0 83 250.298 7

Activity (Go SEA)

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