UCSF

ZINC37806293

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) -0.73 2.57 -45.46 4 5 1 77 240.327 4
Hi High (pH 8-9.5) -0.73 2.27 -14.47 3 5 0 75 239.319 4

Activity (Go SEA)

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