UCSF

ZINC66167107

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 16 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) 4.04 6.32 -3.64 0 3 0 28 271.798 2
Ref Reference (pH 7) 4.04 6 -3.25 0 3 0 28 271.798 2
Mid Mid (pH 6-8) 4.04 7.06 -45.63 1 3 0 30 272.806 2
Mid Mid (pH 6-8) 4.04 6.74 -46.9 1 3 0 30 272.806 2

Activity (Go SEA)

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

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