UCSF

ZINC37848011

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 1.92 3.64 -44.66 4 4 1 66 296.431 10
Hi High (pH 8-9.5) 1.92 2.25 -6.36 3 4 0 62 295.423 10

Activity (Go SEA)

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