UCSF

ZINC37981844

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 15 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) 0.00 4.88 -38.37 2 4 0 70 222.269 4
Mid Mid (pH 6-8) 0.00 3.54 -48.77 1 4 -1 65 221.261 4

Activity (Go SEA)

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