UCSF

ZINC38575486

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 23 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) 3.61 7.52 -15.21 1 4 0 59 336.363 2
Hi High (pH 8-9.5) 3.68 6.43 -46.18 0 4 -1 65 335.355 2

Activity (Go SEA)

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

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