UCSF

ZINC19821671

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 2.37 8.53 -34.99 1 4 1 38 270.356 3
Mid Mid (pH 6-8) 2.37 6.14 -11.94 0 4 0 36 269.348 3

Activity (Go SEA)

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