UCSF

ZINC06729495

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 26 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) 2.40 -3.06 -14.91 1 7 0 90 373.434 4
Hi High (pH 8-9.5) 2.40 -2.48 -44.54 0 7 -1 92 372.426 4

Activity (Go SEA)

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

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