UCSF

ZINC23359531

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 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) 3.58 9.21 -20 2 6 0 84 396.516 8
Hi High (pH 8-9.5) 3.77 8.14 -45.35 1 6 -1 90 395.508 8

Activity (Go SEA)

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