UCSF

ZINC60022986

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 40 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) 6.92 20.34 -68.04 1 4 0 62 533.712 13
Hi High (pH 8-9.5) 6.92 17.92 -63.02 0 4 -1 60 532.704 13

Activity (Go SEA)

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

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