UCSF

ZINC21534907

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 36 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) 3.98 10.94 -23.1 1 8 0 89 480.572 10
Lo Low (pH 4.5-6) 3.98 13.17 -63.86 2 8 1 90 481.58 10

Activity (Go SEA)

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