UCSF

ZINC57303503

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2011 26 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) 4.16 8.72 -8.65 1 4 0 36 375.875 5
Lo Low (pH 4.5-6) 4.16 8.75 -37.5 2 4 1 37 376.883 5

Activity (Go SEA)

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