UCSF

ZINC37240628

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 2.37 8.85 -123.4 3 5 2 60 296.411 8
Mid Mid (pH 6-8) 2.37 6.83 -47.75 2 5 1 59 295.403 8
Mid Mid (pH 6-8) 2.37 8.31 -36.22 2 5 1 56 295.403 8

Activity (Go SEA)

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