UCSF

ZINC06688901

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 27 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) 3.35 11.76 -15.92 0 4 0 38 365.452 6
Mid Mid (pH 6-8) 3.35 12.22 -37.66 1 4 1 39 366.46 6

Activity (Go SEA)

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