UCSF

ZINC44076150

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 29 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) 7.93 11.69 -5.24 2 2 0 40 392.583 4
Hi High (pH 8-9.5) 7.93 12.44 -50.96 1 2 -1 43 391.575 4

Activity (Go SEA)

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

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