UCSF

ZINC06498913

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2006 30 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) 2.14 7.37 -57.12 0 7 -1 92 409.462 9
Lo Low (pH 4.5-6) 2.14 6.62 -14.76 1 7 0 89 410.47 9

Activity (Go SEA)

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