UCSF

ZINC69352124

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2011 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) 1.69 1.05 -7.55 2 5 0 62 276.336 3
Mid Mid (pH 6-8) 1.88 0.66 -27.38 2 5 0 69 276.336 3
Mid Mid (pH 6-8) 1.69 3.3 -35.43 3 5 1 63 277.344 3

Activity (Go SEA)

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

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