UCSF

ZINC31946031

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 2.73 4.45 -7.8 1 4 0 44 296.455 6
Lo Low (pH 4.5-6) 2.73 6.79 -42.99 2 4 1 45 297.463 6

Activity (Go SEA)

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