UCSF

ZINC31484052

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 22 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) 3.46 8.04 -40.55 2 4 1 37 304.458 4
Mid Mid (pH 6-8) 3.46 5.58 -9.1 1 4 0 36 303.45 4

Activity (Go SEA)

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