UCSF

ZINC12868428

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 22 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) 3.48 6.88 -8.78 1 4 0 47 316.788 5
Mid Mid (pH 6-8) 3.48 7.39 -30.97 2 4 1 49 317.796 5

Activity (Go SEA)

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