UCSF

ZINC22178650

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.87 7.54 -114.32 4 2 2 32 270.367 4
Mid Mid (pH 6-8) 2.87 5.73 -42.09 3 2 1 31 269.359 4

Activity (Go SEA)

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