UCSF

ZINC02171870

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 37 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) 8.63 15.66 -13 0 4 0 59 508.687 8
Lo Low (pH 4.5-6) 8.63 16.02 -45.82 1 4 1 60 509.695 8

Activity (Go SEA)

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