UCSF

ZINC05687477

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 20 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) 0.65 4.11 -55.82 2 6 -1 98 286.292 2
Mid Mid (pH 6-8) 1.50 3.16 -17.69 3 6 0 99 287.3 2
Mid Mid (pH 6-8) 0.72 2.88 -135.71 1 6 -2 104 285.284 2

Activity (Go SEA)

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

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