UCSF

ZINC06529241

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 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) 1.65 2.98 -44.81 1 9 -1 122 363.357 5
Lo Low (pH 4.5-6) 1.19 5.02 -13.32 2 9 0 119 364.365 5

Activity (Go SEA)

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