UCSF

ZINC62667742

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2011 12 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) 1.98 3.65 -5.31 2 3 0 41 165.24 1
Mid Mid (pH 6-8) 1.98 3.77 -25.21 3 3 1 42 166.248 1

Activity (Go SEA)

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

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