UCSF

ZINC62938773

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 14 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) -1.62 0.78 -50.14 3 7 1 84 199.238 2
Hi High (pH 8-9.5) -1.62 0.4 -9.27 2 7 0 82 198.23 2

Activity (Go SEA)

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

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