UCSF

ZINC25385910

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 29 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) 2.13 5.93 -19.41 2 6 0 88 413.474 8
Lo Low (pH 4.5-6) 2.13 6.37 -58.25 3 6 1 89 414.482 8

Activity (Go SEA)

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