UCSF

ZINC66074597

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 28 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) 3.93 14.46 -101.54 1 5 0 66 376.456 4
Hi High (pH 8-9.5) 3.93 12.2 -80.12 0 5 -1 65 375.448 4

Activity (Go SEA)

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

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