UCSF

ZINC13115900

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 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) 2.53 6.46 -11.19 0 4 0 33 336.863 2
Mid Mid (pH 6-8) 2.53 8.9 -45.2 1 4 1 34 337.871 2

Activity (Go SEA)

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