UCSF

ZINC05025580

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 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) 3.17 -2.55 -14.83 2 3 0 44 278.355 3
Mid Mid (pH 6-8) 0.07 0.65 -15.64 1 7 0 89 328.39 4

Activity (Go SEA)

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