UCSF

ZINC13470783

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 18 Yes

Other Names:

MFCD00795794

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) 2.38 2.74 -24.86 2 5 1 66 250.274 4
Hi High (pH 8-9.5) 1.74 4.76 -13.24 1 5 0 61 249.266 5

Activity (Go SEA)

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