UCSF

ZINC25144849

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 35 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) 7.43 16.12 -45.11 1 5 1 43 465.621 5
Mid Mid (pH 6-8) 7.43 13.84 -8.28 0 5 0 41 464.613 5
Lo Low (pH 4.5-6) 7.43 16.44 -86.06 2 5 2 44 466.629 5

Activity (Go SEA)

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