UCSF

ZINC42460219

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 26 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) 1.14 5.8 -21.46 3 8 0 112 348.366 6
Lo Low (pH 4.5-6) 1.14 6.26 -41.32 4 8 1 113 349.374 6

Activity (Go SEA)

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

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