UCSF

ZINC06528233

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 26 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) 4.20 9.5 -13 1 5 0 63 407.326 5
Mid Mid (pH 6-8) 4.21 11.06 -40.58 3 5 1 67 408.334 5

Activity (Go SEA)

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