UCSF

ZINC37784212

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.68 3.79 -11.3 2 4 0 53 296.798 4
Hi High (pH 8-9.5) 2.68 4.55 -49.23 1 4 -1 55 295.79 4
Hi High (pH 8-9.5) 2.68 5.75 -32.46 2 4 0 60 296.798 4

Activity (Go SEA)

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