UCSF

ZINC36231713

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) -0.32 -2.62 -58.92 4 6 1 88 320.46 6
Lo Low (pH 4.5-6) -0.32 -0.32 -102.81 5 6 2 90 321.468 6

Activity (Go SEA)

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