UCSF

ZINC62033738

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 18 No

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) 1.86 4.2 -9.94 2 3 0 41 268.357 4
Mid Mid (pH 6-8) 1.86 5.57 -43.6 3 3 1 46 269.365 4

Activity (Go SEA)

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

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