UCSF

ZINC54668103

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 16 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) 3.20 7.51 -41.32 1 3 -1 42 238.38 2
Mid Mid (pH 6-8) 3.20 7.52 -23.27 2 3 0 43 239.388 2

Activity (Go SEA)

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