UCSF

ZINC05396986

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 18 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) 1.14 1.55 -12.96 2 6 0 110 242.238 3
Hi High (pH 8-9.5) 1.14 3.63 -35.35 1 6 -1 112 241.23 3

Activity (Go SEA)

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

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