UCSF

ZINC37869250

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 14 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) -0.01 0.79 -33.77 4 4 1 60 200.306 3
Mid Mid (pH 6-8) -0.01 -0.69 -41.79 4 4 1 63 200.306 3
Lo Low (pH 4.5-6) -0.01 1.73 -101.5 5 4 2 64 201.314 3

Activity (Go SEA)

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