UCSF

ZINC22416747

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 28 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) 4.54 9.57 -14.58 2 5 0 79 413.499 5
Hi High (pH 8-9.5) 5.00 8.46 -50.07 1 5 -1 82 412.491 5

Activity (Go SEA)

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