UCSF

ZINC35833353

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 33 No

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) 6.62 11.85 -52.4 1 3 -1 60 453.687 1
Lo Low (pH 4.5-6) 6.62 9.91 -5.35 2 3 0 58 454.695 1

Activity (Go SEA)

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