UCSF

ZINC05177785

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2006 26 No

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) 0.00 2.64 -14.77 4 10 0 138 358.358 5
Hi High (pH 8-9.5) 0.20 2.01 -68.58 3 10 -1 137 357.35 5

Activity (Go SEA)

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