UCSF

ZINC35133240

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) -0.10 1.32 -52.39 4 5 1 75 228.316 6
Mid Mid (pH 6-8) -0.10 -0.03 -15.52 3 5 0 70 227.308 6

Activity (Go SEA)

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