UCSF

ZINC52876159

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.63 4.85 -44.32 3 6 1 72 333.408 3
Hi High (pH 8-9.5) 2.45 4.02 -32.57 2 6 0 79 332.4 3
Hi High (pH 8-9.5) 2.45 1.73 -42.73 1 6 -1 77 331.392 3

Activity (Go SEA)

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