UCSF

ZINC13109233

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2008 14 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) -3.14 2.41 -71.58 6 6 1 111 203.266 6
Hi High (pH 8-9.5) -3.14 2.06 -55.74 5 6 0 109 202.258 6

Activity (Go SEA)

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

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