UCSF

ZINC09045377

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 38 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) 7.73 -1.92 -9.66 0 4 0 41 512.682 6
Lo Low (pH 4.5-6) 7.73 -1.84 -25.83 1 4 1 43 513.69 6

Activity (Go SEA)

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