UCSF

ZINC49455550

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 11 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) 0.48 1.04 -14.52 1 4 0 59 150.137 0
Hi High (pH 8-9.5) 0.94 -1.03 -45.5 0 4 -1 62 149.129 0

Activity (Go SEA)

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

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