UCSF

ZINC02386669

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 36 No

Other Names:

MFCD01862436

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) 8.57 18.51 -4.74 0 3 0 38 481.728 8
Ref Reference (pH 7) 8.57 16.73 -6.91 0 3 0 38 481.728 8
Ref Reference (pH 7) 8.57 17.45 -5.24 0 3 0 38 481.728 8
Lo Low (pH 4.5-6) 8.57 17.83 -29.44 1 3 1 39 482.736 8
Lo Low (pH 4.5-6) 8.57 17.77 -28.42 1 3 1 39 482.736 8

Activity (Go SEA)

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