UCSF

ZINC29395836

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 37 No

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) 6.64 9.29 -45.12 2 3 -1 64 537.605 8
Mid Mid (pH 6-8) 6.64 8.74 -11.36 3 3 0 61 538.613 8

Activity (Go SEA)

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