UCSF

ZINC37848662

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.64 -0.15 -50.26 4 5 1 75 233.332 9
Hi High (pH 8-9.5) -0.64 -1.5 -11.77 3 5 0 71 232.324 9

Activity (Go SEA)

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