UCSF

ZINC35433668

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 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) 2.86 6.98 -11.76 1 4 0 41 247.342 6
Mid Mid (pH 6-8) 2.86 7.17 -88.37 3 4 2 43 249.358 6
Mid Mid (pH 6-8) 2.86 6.7 -30.09 2 4 1 42 248.35 6
Mid Mid (pH 6-8) 2.86 7.68 -24.24 2 4 1 42 248.35 6

Activity (Go SEA)

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