UCSF

ZINC05288143

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 18 No

Other Names:

MFCD28043285

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) 4.61 6.68 -7.94 1 2 0 33 263.699 2
Ref Reference (pH 7) 4.61 5.47 -8.5 1 2 0 33 263.699 2
Hi High (pH 8-9.5) 4.61 6.24 -36.66 0 2 -1 35 262.691 2
Hi High (pH 8-9.5) 4.61 7.46 -48.18 0 2 -1 35 262.691 2
Lo Low (pH 4.5-6) 4.61 7.19 -32.84 2 2 1 34 264.707 2
Lo Low (pH 4.5-6) 4.61 5.89 -33.44 2 2 1 34 264.707 2

Activity (Go SEA)

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