UCSF

ZINC36678187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 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) 0.48 5.98 -106.83 5 6 2 85 250.35 4
Mid Mid (pH 6-8) 0.48 4.08 -37.69 4 6 1 84 249.342 4

Activity (Go SEA)

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