UCSF

ZINC37224915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 12 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) 0.03 0.37 -12.24 2 4 0 65 169.228 5
Mid Mid (pH 6-8) 0.03 1.55 -48.77 3 4 1 69 170.236 5

Activity (Go SEA)

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