UCSF

ZINC67754878

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 25 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) 1.72 5.59 -92.86 2 7 0 103 388.511 6
Hi High (pH 8-9.5) 1.72 4.24 -67.28 1 7 -1 99 387.503 6

Activity (Go SEA)

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

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