UCSF

ZINC43424797

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 1.65 2.62 -50.57 3 4 1 53 316.219 3
Lo Low (pH 4.5-6) 1.65 4.38 -130.92 4 4 2 54 317.227 3

Activity (Go SEA)

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