UCSF

ZINC19852044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 0.64 4.78 -17.73 1 8 0 85 380.499 8
Hi High (pH 8-9.5) 0.82 3.7 -44.19 0 8 -1 92 379.491 8

Activity (Go SEA)

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