UCSF

ZINC05053253

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 25 No

Other Names:

MFCD02642845

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) 1.37 0.04 -12.77 4 8 0 126 342.355 4
Lo Low (pH 4.5-6) 1.37 0.21 -60.93 5 8 1 128 343.363 4

Activity (Go SEA)

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