UCSF

ZINC36075283

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 19 Yes

Other Names:

MFCD01208351

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) 3.31 8.73 -7.17 2 3 0 44 249.317 3
Mid Mid (pH 6-8) 3.31 8.91 -32.51 3 3 1 45 250.325 3

Activity (Go SEA)

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