UCSF

ZINC22721114

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 34 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) 2.01 7.12 -24.72 3 11 0 136 480.506 6
Ref Reference (pH 7) 2.92 6.66 -49.81 1 11 -1 136 479.498 7
Mid Mid (pH 6-8) 2.01 7.12 -38.35 3 11 0 135 480.506 6
Mid Mid (pH 6-8) 2.01 6.96 -52.87 2 11 -1 134 479.498 6

Activity (Go SEA)

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

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