UCSF

ZINC11690847

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 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) 2.06 9.46 -22.88 1 9 0 107 413.454 7
Mid Mid (pH 6-8) 2.06 9.62 -21.77 0 9 0 104 412.446 7
Mid Mid (pH 6-8) 2.06 10.62 -25.96 0 9 0 104 412.446 7

Activity (Go SEA)

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