UCSF

ZINC67975375

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.40 9.96 -49.94 2 5 1 63 374.464 3
Hi High (pH 8-9.5) 3.40 8.61 -13.54 1 5 0 58 373.456 3

Activity (Go SEA)

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

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