UCSF

ZINC59014310

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2011 24 No

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) 1.91 5.37 -12.5 0 6 0 51 334.416 6
Mid Mid (pH 6-8) 1.91 7.6 -50.91 1 6 1 52 335.424 6

Activity (Go SEA)

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