UCSF

ZINC60118186

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 9 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) -1.11 -5.46 -36.07 1 5 -1 88 124.079 0
Mid Mid (pH 6-8) -1.30 -2.81 -11.57 2 5 0 82 125.087 0

Activity (Go SEA)

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

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