UCSF

ZINC09833746

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 25 No

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) 6.41 9.1 -8.43 1 4 0 55 482.197 2
Mid Mid (pH 6-8) 6.41 9.46 -40.62 0 4 -1 57 481.189 2
Mid Mid (pH 6-8) 6.41 9.87 -41 0 4 -1 57 481.189 2

Activity (Go SEA)

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