UCSF

ZINC21194914

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 25 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) 4.68 8.78 -13.19 1 5 0 60 466.3 5
Hi High (pH 8-9.5) 4.75 7.88 -44.02 0 5 -1 67 465.292 5

Activity (Go SEA)

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