UCSF

ZINC04248142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 22 Yes

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) 2.86 6.77 -38.92 3 5 1 68 315.422 5
Hi High (pH 8-9.5) 2.86 5.72 -10.37 2 5 0 66 314.414 5
Hi High (pH 8-9.5) 3.04 5.06 -30.24 2 5 0 74 314.414 5
Hi High (pH 8-9.5) 3.04 3.94 -47.53 1 5 -1 73 313.406 5

Activity (Go SEA)

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