UCSF

ZINC55198153

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 16 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) -0.43 3.42 -45.3 1 5 1 37 230.332 5
Hi High (pH 8-9.5) -0.43 0.93 -10.54 0 5 0 36 229.324 5

Activity (Go SEA)

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