UCSF

ZINC37798880

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.03 0.85 -38.54 5 7 1 110 296.347 7
Hi High (pH 8-9.5) -0.03 0.51 -14.04 4 7 0 108 295.339 7

Activity (Go SEA)

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