UCSF

ZINC37000052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 4.38 6.22 -4.46 2 2 0 32 320.23 5
Mid Mid (pH 6-8) 4.38 7.44 -38.58 3 2 1 37 321.238 5

Activity (Go SEA)

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