UCSF

ZINC44926178

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 18 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 3.73 -41.59 1 5 -1 65 242.306 3
Lo Low (pH 4.5-6) 1.78 3.73 -6.96 2 5 0 66 243.314 3
Lo Low (pH 4.5-6) 1.78 4.54 -39.39 2 5 0 69 243.314 3

Activity (Go SEA)

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

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