UCSF

ZINC69232970

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 21 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) 1.83 7.06 -34.98 2 5 1 46 298.451 9
Mid Mid (pH 6-8) 1.83 6.43 -35.16 2 5 1 46 298.451 9
Mid Mid (pH 6-8) 1.83 9.03 -97.61 3 5 2 47 299.459 9
Mid Mid (pH 6-8) 1.83 7.96 -83.94 3 5 2 51 299.459 9

Activity (Go SEA)

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

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