UCSF

ZINC04817802

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 29 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) 7.39 13.56 -9.39 1 3 0 29 385.555 4
Mid Mid (pH 6-8) 7.39 14 -24.07 2 3 1 31 386.563 4

Activity (Go SEA)

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