UCSF

ZINC26644379

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 43 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) 4.68 13.42 -20.64 1 10 0 134 597.705 9
Lo Low (pH 4.5-6) 4.68 13.89 -54.09 2 10 1 136 598.713 9

Activity (Go SEA)

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