UCSF

ZINC40443193

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 16 Yes

Other Names:

MFCD13152336

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) 4.23 5.77 -10.19 1 2 0 37 259.132 2
Mid Mid (pH 6-8) 4.23 6.56 -38.69 0 2 -1 40 258.124 2

Activity (Go SEA)

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