UCSF

ZINC14011139

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 30 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) 1.36 5.88 -100.2 0 9 -2 134 408.366 7
Lo Low (pH 4.5-6) 0.90 8.54 -57.15 1 9 -1 131 409.374 7

Activity (Go SEA)

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