UCSF

ZINC05216009

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 24 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) 4.03 10.99 -42.05 1 4 1 44 342.802 2
Mid Mid (pH 6-8) 4.03 8.26 -13.51 0 4 0 43 341.794 2

Activity (Go SEA)

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