UCSF

ZINC77980195

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2012 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.13 7.06 -11.57 0 5 0 59 325.393 2
Lo Low (pH 4.5-6) 2.13 7.51 -49.84 1 5 1 60 326.401 2

Activity (Go SEA)

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

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