UCSF

ZINC12546243

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 21 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) -1.94 6 -33.91 1 4 1 32 312.796 3
Mid Mid (pH 6-8) -1.94 8.52 -108.25 2 4 2 34 313.804 3

Activity (Go SEA)

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