UCSF

ZINC22147050

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 3.08 6.88 -34.39 4 4 1 60 310.849 3
Hi High (pH 8-9.5) 3.08 5.66 -7.85 3 4 0 58 309.841 3

Activity (Go SEA)

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