UCSF

ZINC20264374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 20 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) 3.39 7.23 -55.77 3 2 1 31 334.281 5
Mid Mid (pH 6-8) 3.39 9.29 -142.33 4 2 2 32 335.289 5

Activity (Go SEA)

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