UCSF

ZINC36127918

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) -0.26 0.39 -42.79 4 6 1 81 294.375 6
Lo Low (pH 4.5-6) -0.26 2.68 -91.18 5 6 2 82 295.383 6

Activity (Go SEA)

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