UCSF

ZINC22078273

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 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) 3.54 9.46 -32.36 1 2 1 8 281.423 2
Hi High (pH 8-9.5) 3.54 7.76 -3.16 0 2 0 6 280.415 2

Activity (Go SEA)

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