UCSF

ZINC42945358

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 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) 1.78 2.8 -43.98 3 4 1 49 301.838 9
Lo Low (pH 4.5-6) 1.78 4.54 -110.69 4 4 2 51 302.846 9

Activity (Go SEA)

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