UCSF

ZINC43993227

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) 2.66 10.72 -104.68 3 3 2 36 259.397 6
Hi High (pH 8-9.5) 2.66 9.03 -6.21 1 3 0 30 257.381 6
Mid Mid (pH 6-8) 2.66 10.21 -51.24 2 3 1 34 258.389 6

Activity (Go SEA)

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