UCSF

ZINC06483833

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 20 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) 1.12 1.13 -11 3 7 0 100 290.304 2
Mid Mid (pH 6-8) 1.58 -0.68 -36.97 2 7 -1 103 289.296 2

Activity (Go SEA)

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

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