UCSF

ZINC26780500

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 26 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) 4.42 6.56 -7.41 1 4 0 36 374.912 6
Mid Mid (pH 6-8) 4.42 8.9 -49.56 2 4 1 37 375.92 6

Activity (Go SEA)

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