UCSF

ZINC22844506

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 27 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.65 7.99 -44 2 6 1 57 373.521 6
Hi High (pH 8-9.5) 2.65 7.99 -47.2 2 6 1 57 373.521 6
Hi High (pH 8-9.5) 2.65 5.76 -17.27 1 6 0 56 372.513 6

Activity (Go SEA)

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