UCSF

ZINC13673393

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 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) 5.36 13.41 -13.15 0 4 0 46 413.546 5
Lo Low (pH 4.5-6) 5.36 13.63 -38.85 1 4 1 47 414.554 5

Activity (Go SEA)

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