UCSF

ZINC49510932

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 17 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) 0.49 3.35 -6.69 1 5 0 72 252.295 2
Mid Mid (pH 6-8) 0.95 0.6 -36.63 0 5 -1 75 251.287 2

Activity (Go SEA)

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

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