UCSF

ZINC22177202

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 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 6.77 -126.25 4 2 2 32 238.35 3
Hi High (pH 8-9.5) 2.13 6.65 -31.42 3 2 1 30 237.342 3
Hi High (pH 8-9.5) 2.13 5.01 -51.65 3 2 1 31 237.342 3

Activity (Go SEA)

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