UCSF

ZINC06919877

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 22 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) 2.92 10.2 -40.55 2 4 0 62 294.354 5
Hi High (pH 8-9.5) 2.92 8.83 -51.15 1 4 -1 57 293.346 5

Activity (Go SEA)

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