UCSF

ZINC62850873

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 19 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) 2.48 8.92 -96.74 3 2 2 21 280.481 6
Hi High (pH 8-9.5) 2.48 7.11 -39.51 2 2 1 20 279.473 6

Activity (Go SEA)

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

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