UCSF

ZINC55250674

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 28 Yes

Other Names:

MFCD00356091

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) 2.95 8.56 -10.33 1 5 0 53 397.544 4
Mid Mid (pH 6-8) 3.02 8.7 -44.78 2 5 1 57 398.552 4

Activity (Go SEA)

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