UCSF

ZINC22168602

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 2.40 6.38 -114.65 4 4 2 51 294.439 5
Hi High (pH 8-9.5) 2.40 6.02 -28.78 3 4 1 49 293.431 5
Hi High (pH 8-9.5) 2.40 5.33 -40.2 3 4 1 49 293.431 5

Activity (Go SEA)

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