UCSF

ZINC24380507

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 22 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) 3.62 9.45 -20.39 1 4 0 47 413.165 3
Lo Low (pH 4.5-6) 3.62 9.88 -54.76 2 4 1 48 414.173 3

Activity (Go SEA)

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