UCSF

ZINC13009767

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 32 No

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) 1.43 8.58 -22.36 0 8 0 89 453.52 5
Ref Reference (pH 7) 3.28 4.4 -15.32 2 8 0 97 453.52 5
Hi High (pH 8-9.5) 3.28 5.17 -58.66 1 8 -1 99 452.512 5

Activity (Go SEA)

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

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