UCSF

ZINC06622117

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 28 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) 2.03 -0.64 -13.92 2 7 0 104 379.368 5
Mid Mid (pH 6-8) 1.45 -0.82 -20.44 1 7 0 100 379.368 5

Activity (Go SEA)

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