UCSF

ZINC43993207

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 3.07 10.45 -105.28 3 3 2 36 259.397 5
Hi High (pH 8-9.5) 3.07 8.78 -5.57 1 3 0 30 257.381 5
Mid Mid (pH 6-8) 3.07 9.94 -44.95 2 3 1 34 258.389 5

Activity (Go SEA)

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