UCSF

ZINC36755450

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) 3.79 5.96 -7.2 1 3 0 46 299.193 2
Hi High (pH 8-9.5) 4.25 3.8 -44.96 0 3 -1 49 298.185 2

Activity (Go SEA)

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

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