UCSF

ZINC22175837

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) 1.88 6.48 -115.4 4 4 2 51 292.423 5
Hi High (pH 8-9.5) 1.88 4.46 -44.99 3 4 1 49 291.415 5
Hi High (pH 8-9.5) 1.88 6.28 -27.69 3 4 1 49 291.415 5

Activity (Go SEA)

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