UCSF

ZINC43405273

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) 0.44 6.21 -108.37 4 5 2 65 278.4 5
Mid Mid (pH 6-8) 0.44 5.69 -64.98 3 5 1 64 277.392 5

Activity (Go SEA)

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