UCSF

ZINC22699724

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 34 No

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) -1.97 -1.13 -26.88 4 12 0 157 468.47 2
Hi High (pH 8-9.5) -1.79 -2.92 -56.51 3 12 -1 163 467.462 2

Activity (Go SEA)

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