UCSF

ZINC25509830

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 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) 2.86 6.23 -41.39 0 5 -1 69 408.297 4
Mid Mid (pH 6-8) 2.86 6.16 -14.62 1 5 0 66 409.305 4

Activity (Go SEA)

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