UCSF

ZINC67540210

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 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) 1.19 5.19 -91.9 2 7 0 107 381.479 5
Hi High (pH 8-9.5) 1.19 3.83 -69.24 1 7 -1 102 380.471 5
Lo Low (pH 4.5-6) 1.19 5.65 -137.81 3 7 1 108 382.487 5

Activity (Go SEA)

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

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