UCSF

ZINC26531769

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 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) -3.62 2.89 -31.36 4 10 1 126 427.485 6
Mid Mid (pH 6-8) -3.62 5.23 -84.84 5 10 2 127 428.493 6

Activity (Go SEA)

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