UCSF

ZINC69968374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 25 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) 1.75 7.51 -21.92 1 7 0 91 337.383 5
Mid Mid (pH 6-8) 1.75 7.7 -49.31 2 7 1 92 338.391 5
Mid Mid (pH 6-8) 1.75 7.63 -48.15 2 7 1 92 338.391 5

Activity (Go SEA)

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

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