UCSF

ZINC22172756

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) 2.79 8.31 -124.15 4 2 2 32 248.414 4
Hi High (pH 8-9.5) 2.79 8.19 -29.11 3 2 1 30 247.406 4
Hi High (pH 8-9.5) 2.79 6.51 -47.33 3 2 1 31 247.406 4

Activity (Go SEA)

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