UCSF

ZINC12973938

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 23 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) 4.57 7.38 -12.38 1 4 0 60 324.357 2
Hi High (pH 8-9.5) 4.57 8.06 -54.64 0 4 -1 63 323.349 1
Hi High (pH 8-9.5) 4.57 8.13 -54.31 0 4 -1 63 323.349 2

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.