UCSF

ZINC16780627

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 24 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) 5.58 7.72 -8.27 1 4 0 55 412.349 5
Hi High (pH 8-9.5) 5.58 7.8 -42.26 0 4 -1 57 411.341 5

Activity (Go SEA)

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