UCSF

ZINC16740280

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 23 No

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) 3.26 6.26 -10.64 1 6 0 85 314.341 3
Lo Low (pH 4.5-6) 3.26 6.54 -39.12 2 6 1 86 315.349 3

Activity (Go SEA)

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