UCSF

ZINC34667292

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 29 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) 0.99 4.12 -14.38 1 7 0 71 412.502 11
Mid Mid (pH 6-8) 0.99 6.44 -50.75 2 7 1 73 413.51 11

Activity (Go SEA)

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