UCSF

ZINC88462984

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2013 27 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) 0.44 10.03 -23.46 0 11 0 149 390.341 15
Mid Mid (pH 6-8) 0.48 9.28 -61 0 11 -1 155 389.333 14

Activity (Go SEA)

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

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