UCSF

ZINC44243191

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 2.39 2.49 -38.39 2 5 -1 87 371.261 4
Lo Low (pH 4.5-6) 2.39 2.46 -16.49 3 5 0 85 372.269 4

Activity (Go SEA)

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