UCSF

ZINC67982954

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 27 Yes

Other Names:

MFCD01028802

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) 2.09 9.15 -42.15 3 6 1 77 364.473 4
Lo Low (pH 4.5-6) 2.09 9.68 -83.94 4 6 2 78 365.481 4

Activity (Go SEA)

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

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