UCSF

ZINC20217472

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 16 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) 0.44 4.49 -96.77 4 4 2 48 222.336 2
Mid Mid (pH 6-8) 0.44 4.92 -181.9 5 4 3 49 223.344 2

Activity (Go SEA)

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