UCSF

ZINC21968369

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 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) 2.64 3.18 -38.9 3 3 1 40 249.378 4
Mid Mid (pH 6-8) 2.64 4.84 -38.31 3 3 1 37 249.378 4

Activity (Go SEA)

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