UCSF

ZINC65322332

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 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) 4.34 11.27 -45.03 2 5 1 51 357.522 8
Mid Mid (pH 6-8) 4.34 9.07 -11.56 1 5 0 50 356.514 8

Activity (Go SEA)

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

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