UCSF

ZINC01784502

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 24 No

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) 3.62 9.16 -15.58 0 6 0 65 339.786 3
Mid Mid (pH 6-8) 3.62 10.29 -26.94 2 6 1 70 340.794 3
Mid Mid (pH 6-8) 3.62 9.5 -37.78 1 6 1 67 340.794 3

Activity (Go SEA)

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

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