UCSF

ZINC21629364

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 3.31 5.96 -62.7 2 7 1 80 418.539 6
Mid Mid (pH 6-8) 3.31 6.85 -20.09 1 7 0 79 417.531 6

Activity (Go SEA)

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