UCSF

ZINC20021876

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 2.67 8.19 -129.02 4 2 2 32 266.404 4
Mid Mid (pH 6-8) 2.67 6.63 -49.13 3 2 1 31 265.396 4

Activity (Go SEA)

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