UCSF

ZINC66182567

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 26 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) 5.99 13.4 -40.63 2 2 1 26 348.51 8
Mid Mid (pH 6-8) 5.99 12.04 -5.17 1 2 0 21 347.502 8

Activity (Go SEA)

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

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