UCSF

ZINC19855287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 4.20 10.96 -20.08 1 6 0 59 412.493 5
Mid Mid (pH 6-8) 4.20 11.35 -45.3 2 6 1 61 413.501 5

Activity (Go SEA)

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