UCSF

ZINC66123505

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 30 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) 6.56 7.32 -9.8 3 5 0 87 408.494 5
Hi High (pH 8-9.5) 6.56 8.31 -54.13 2 5 -1 90 407.486 5

Activity (Go SEA)

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

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