UCSF

ZINC25321347

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 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) 2.29 3.92 -25.47 2 8 0 114 416.503 5
Mid Mid (pH 6-8) 2.29 4.37 -47.57 1 8 -1 117 415.495 5

Activity (Go SEA)

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