UCSF

ZINC20119743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 33 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) 4.04 8.52 -20.83 1 6 0 76 488.606 9
Hi High (pH 8-9.5) 4.04 8.1 -56.49 0 6 -1 78 487.598 9

Activity (Go SEA)

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

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