UCSF

ZINC26841923

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 31 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) -3.75 2.85 -34.17 4 10 1 126 427.485 7
Mid Mid (pH 6-8) -3.75 5.2 -86.73 5 10 2 127 428.493 7

Activity (Go SEA)

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