UCSF

ZINC40339787

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 38 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 5.24 17.06 -45.11 2 7 1 77 525.032 9
Mid Mid (pH 6-8) 5.24 16.54 -18.82 1 7 0 76 524.024 9

Activity (Go SEA)

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

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