UCSF

ZINC22169040

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 2.56 7.15 -133.4 4 2 2 32 244.382 4
Hi High (pH 8-9.5) 2.56 6.77 -33.73 3 2 1 30 243.374 4
Mid Mid (pH 6-8) 2.56 4.98 -47 3 2 1 31 243.374 4

Activity (Go SEA)

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