UCSF

ZINC25033279

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 20 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) 1.89 5.24 -47.23 3 4 1 60 310.83 3
Hi High (pH 8-9.5) 1.89 3.01 -12.81 2 4 0 59 309.822 3

Activity (Go SEA)

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