UCSF

ZINC01208631

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2004 31 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) 3.04 9.42 -20.37 2 6 0 77 418.493 6
Lo Low (pH 4.5-6) 5.05 6.56 -32.55 3 6 1 85 419.501 6

Activity (Go SEA)

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