UCSF

ZINC41665892

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) -0.60 3.79 -56.3 1 5 -1 86 282.341 4
Lo Low (pH 4.5-6) -0.60 1.92 -14.42 2 5 0 83 283.349 4

Activity (Go SEA)

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