UCSF

ZINC44686234

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 Yes

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) 1.85 8.57 -82.33 3 4 2 36 304.463 5
Mid Mid (pH 6-8) 1.85 7.89 -35.85 2 4 1 34 303.455 5

Activity (Go SEA)

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