UCSF

ZINC37978909

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 18 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) 2.05 7.36 -39.02 2 3 1 40 244.362 4
Mid Mid (pH 6-8) 2.05 6.31 -50.94 2 3 1 44 244.362 4

Activity (Go SEA)

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