UCSF

ZINC22035132

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 29 No

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) -4.41 -7.11 -105.63 10 12 2 188 416.527 8
Hi High (pH 8-9.5) -4.41 -10.78 -31.49 8 12 0 185 414.511 8
Hi High (pH 8-9.5) -4.41 -8.87 -60.99 9 12 1 187 415.519 8
Hi High (pH 8-9.5) -4.41 -9.02 -46.28 9 12 1 187 415.519 8

Activity (Go SEA)

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