UCSF

ZINC06206130

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 20 Yes

Other Names:

MFCD03039449

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) 3.69 6.68 -13.19 1 4 0 59 290.388 4
Mid Mid (pH 6-8) 3.69 6.74 -44.85 0 4 -1 61 289.38 4

Activity (Go SEA)

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