UCSF

ZINC41055109

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 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) 5.34 9.76 -31.97 2 4 1 52 327.791 5
Mid Mid (pH 6-8) 5.34 9.34 -11.04 1 4 0 51 326.783 5

Activity (Go SEA)

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