UCSF

ZINC37808595

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) 2.02 6.05 -44.01 3 4 1 61 265.377 6
Hi High (pH 8-9.5) 2.02 5.75 -6.67 2 4 0 59 264.369 6

Activity (Go SEA)

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