UCSF

ZINC37850029

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 3.34 6.94 -44.01 3 3 1 46 280.432 12
Hi High (pH 8-9.5) 3.34 5.59 -4.78 2 3 0 41 279.424 12

Activity (Go SEA)

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