UCSF

ZINC43405250

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 0.45 6.26 -103.25 4 5 2 65 290.411 3
Mid Mid (pH 6-8) 0.45 5.86 -62.11 3 5 1 64 289.403 3

Activity (Go SEA)

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