UCSF

ZINC34363671

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 17 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) 3.56 5.13 -47.8 4 2 1 48 240.411 4
Hi High (pH 8-9.5) 3.56 4.85 -1.38 3 2 0 46 239.403 4

Activity (Go SEA)

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