UCSF

ZINC19434862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 12 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) 2.47 2.99 -38.22 3 2 1 37 186.662 3
Hi High (pH 8-9.5) 2.47 3.77 -29.71 2 2 0 40 185.654 3

Activity (Go SEA)

Rings

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