UCSF

ZINC55413149

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 31 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) 4.19 10.22 -21.14 3 6 0 87 412.493 5
Mid Mid (pH 6-8) 4.19 10.66 -38.61 4 6 1 88 413.501 5

Activity (Go SEA)

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