UCSF

ZINC22169775

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) 2.13 6.98 -138.08 4 2 2 32 256.34 3
Hi High (pH 8-9.5) 2.13 5.19 -54.66 3 2 1 31 255.332 3
Hi High (pH 8-9.5) 2.13 6.87 -38.49 3 2 1 30 255.332 3

Activity (Go SEA)

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