UCSF

ZINC05839707

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 8 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) -1.34 -0.51 -118.14 6 2 2 55 116.208 2
Mid Mid (pH 6-8) -1.34 -0.81 -37.53 5 2 1 54 115.2 2

Activity (Go SEA)

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