UCSF

ZINC19899568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 3.49 6 -42.73 3 2 1 37 248.733 4
Hi High (pH 8-9.5) 3.49 6.77 -31.25 2 2 0 40 247.725 4
Hi High (pH 8-9.5) 3.49 4.5 -6.62 2 2 0 32 247.725 4
Hi High (pH 8-9.5) 3.49 5.29 -40.91 1 2 -1 35 246.717 4

Activity (Go SEA)

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