UCSF

ZINC05024869

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 25 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) 3.05 8.06 -19.83 0 7 0 74 335.367 4
Mid Mid (pH 6-8) 3.05 9.06 -32.81 2 7 1 79 336.375 4

Activity (Go SEA)

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