UCSF

ZINC21880435

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 29 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) 2.43 4.03 -73.1 2 8 1 89 440.929 7
Mid Mid (pH 6-8) 2.43 4.91 -29.91 1 8 0 88 439.921 7

Activity (Go SEA)

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