UCSF

ZINC37406741

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 21 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) 3.60 8.75 -47.47 1 4 -1 69 296.431 8
Lo Low (pH 4.5-6) 3.60 6.77 -10.08 2 4 0 66 297.439 8

Activity (Go SEA)

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