UCSF

ZINC18037157

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 14 No

Other Names:

MFCD03426851

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) 3.34 5.44 -41.67 0 2 -1 40 207.274 1
Mid Mid (pH 6-8) 2.31 7.47 -24.15 0 2 0 34 208.282 2

Activity (Go SEA)

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