UCSF

ZINC41043948

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 15 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) 1.82 1.41 -8.38 2 4 0 63 248.373 4
Lo Low (pH 4.5-6) 1.82 1.26 -54.21 3 4 1 65 249.381 4

Activity (Go SEA)

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