UCSF

ZINC20549736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 14 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) 2.60 3.6 -41.5 3 2 1 37 198.261 3
Mid Mid (pH 6-8) 2.60 4.31 -62.56 2 2 0 40 197.253 3

Activity (Go SEA)

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