UCSF

ZINC03924018

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 15 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) 2.23 5.38 -44.45 3 2 1 37 226.365 7
Hi High (pH 8-9.5) 2.23 5.92 -38.78 3 2 0 37 225.357 7

Activity (Go SEA)

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