UCSF

ZINC43425388

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 3.88 7.27 -6.02 0 3 0 36 276.424 3
Mid Mid (pH 6-8) 3.88 8.84 -45 1 3 1 37 277.432 3

Activity (Go SEA)

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