UCSF

ZINC25525724

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 2.63 6.77 -70.43 1 9 -1 126 413.435 6
Hi High (pH 8-9.5) 2.63 6.84 -126.06 0 9 -2 128 412.427 6

Activity (Go SEA)

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