UCSF

ZINC17989101

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 27 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) 1.09 3.65 -12.25 2 9 0 121 370.365 6
Mid Mid (pH 6-8) 1.09 4.49 -40.22 3 9 1 123 371.373 6

Activity (Go SEA)

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