UCSF

ZINC44610116

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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) -0.81 3.62 -116.56 4 8 2 91 278.364 5
Mid Mid (pH 6-8) -0.81 1.42 -51.79 3 8 1 90 277.356 5

Activity (Go SEA)

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