UCSF

ZINC69236460

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 18 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) 2.73 6.56 -39.89 3 3 1 45 262.402 3
Hi High (pH 8-9.5) 2.73 5.32 -5.97 2 3 0 41 261.394 3

Activity (Go SEA)

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

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