UCSF

ZINC17243607

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 34 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) 3.45 9.08 -13.37 3 9 0 114 454.49 5
Lo Low (pH 4.5-6) 3.45 9.37 -43.32 4 9 1 115 455.498 5

Activity (Go SEA)

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