UCSF

ZINC25407852

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 26 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) 3.77 7.06 -7.58 1 4 0 36 371.912 6
Mid Mid (pH 6-8) 3.77 9.33 -42.1 2 4 1 37 372.92 6

Activity (Go SEA)

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