UCSF

ZINC12319720

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 30 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) 3.55 11.27 -88.14 3 5 2 51 413.606 11
Lo Low (pH 4.5-6) 3.55 11.54 -155.27 4 5 3 52 414.614 11

Activity (Go SEA)

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