UCSF

ZINC05083899

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 25 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) 4.24 10.77 -22.58 1 4 0 47 414.328 4
Mid Mid (pH 6-8) 4.24 11.2 -36.78 2 4 1 48 415.336 4

Activity (Go SEA)

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