UCSF

ZINC17201290

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 25 No

Other Names:

MFCD02943302

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) 5.24 9.37 -10.77 1 5 0 72 352.415 4
Mid Mid (pH 6-8) 4.75 9.35 -41.28 0 5 -1 70 351.407 5

Activity (Go SEA)

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