UCSF

ZINC62921239

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2011 13 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) -0.02 0 -53.18 4 5 1 78 183.235 2
Hi High (pH 8-9.5) -0.02 -1.56 -8.28 3 5 0 74 182.227 2

Activity (Go SEA)

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

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