UCSF

ZINC22173042

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 1.34 5.27 -131.12 4 4 2 51 288.338 6
Hi High (pH 8-9.5) 1.34 5.07 -34.31 3 4 1 49 287.33 6
Mid Mid (pH 6-8) 1.34 3.02 -49.03 3 4 1 49 287.33 6

Activity (Go SEA)

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