UCSF

ZINC14225303

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 25 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) 2.19 -0.52 -16.65 2 8 0 118 398.491 6
Hi High (pH 8-9.5) 2.19 -0.42 -47.84 1 8 -1 120 397.483 6

Activity (Go SEA)

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