UCSF

ZINC03832588

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 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) 0.27 0.76 -12.03 1 4 0 59 172.209 2
Hi High (pH 8-9.5) 0.27 0.83 -39.67 0 4 -1 61 171.201 2
Lo Low (pH 4.5-6) 0.27 1.05 -38.11 2 4 1 60 173.217 2

Activity (Go SEA)

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

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