UCSF

ZINC05225594

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 26 Yes

Other Names:

MFCD00060839

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) 8.80 18.35 -44.66 0 2 -1 40 359.574 18
Lo Low (pH 4.5-6) 8.80 16.38 -6.43 1 2 0 37 360.582 18

Activity (Go SEA)

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