UCSF

ZINC04439780

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2005 22 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) 1.78 -6.23 -14.96 2 6 0 84 340.426 7
Hi High (pH 8-9.5) 1.78 -5.81 -55.1 1 6 -1 86 339.418 7

Activity (Go SEA)

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

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