UCSF

ZINC35324393

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 33 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) 3.25 8.83 -13.95 1 8 0 84 461.396 5
Lo Low (pH 4.5-6) 3.25 9.3 -50.43 2 8 1 85 462.404 5

Activity (Go SEA)

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