UCSF

ZINC39935772

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 19 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) -0.58 -1.87 -56.36 6 6 1 98 287.409 7
Hi High (pH 8-9.5) -0.58 -2.25 -14.55 5 6 0 96 286.401 7

Activity (Go SEA)

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