UCSF

ZINC39281409

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 11 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) -2.55 -0.54 -34.06 5 5 0 107 173.197 2
Mid Mid (pH 6-8) -2.55 -1.11 -51.66 4 5 -1 105 172.189 2

Activity (Go SEA)

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