UCSF

ZINC55150194

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 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) 2.10 6.09 -45.2 1 6 -1 88 330.36 6
Lo Low (pH 4.5-6) 2.10 4.14 -9.79 2 6 0 85 331.368 6

Activity (Go SEA)

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