UCSF

ZINC36333884

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 19 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) 0.73 2.44 -96.81 0 7 -2 114 297.317 5
Lo Low (pH 4.5-6) 0.73 2.67 -51.02 1 7 -1 112 298.325 5

Activity (Go SEA)

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

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