UCSF

ZINC37802899

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) -0.19 2.05 -44.42 5 5 1 91 264.349 7
Hi High (pH 8-9.5) -0.19 1.74 -10.32 4 5 0 89 263.341 7

Activity (Go SEA)

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