UCSF

ZINC23898656

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2009 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) 2.36 8.77 -45.65 2 4 1 57 280.351 4
Hi High (pH 8-9.5) 2.36 6.32 -13.61 1 4 0 56 279.343 4

Activity (Go SEA)

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