UCSF

ZINC39269056

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 17 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) 2.64 6.39 -5.43 0 2 0 27 226.323 2
Mid Mid (pH 6-8) 2.64 8.83 -50.54 1 2 1 28 227.331 2

Activity (Go SEA)

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