UCSF

ZINC15408004

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2008 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) 0.61 -0.19 -51.91 3 4 1 71 234.341 2
Mid Mid (pH 6-8) 0.61 -1.33 -11.85 2 4 0 66 233.333 2

Activity (Go SEA)

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