UCSF

ZINC05111066

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2006 20 No

Other Names:

MFCD00771936

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) 3.93 6.98 -10.68 1 4 0 59 269.3 5
Ref Reference (pH 7) 3.93 5.79 -10.05 1 4 0 59 269.3 5
Hi High (pH 8-9.5) 3.93 7.75 -54.67 0 4 -1 62 268.292 5
Hi High (pH 8-9.5) 3.93 6.56 -40.81 0 4 -1 62 268.292 5
Lo Low (pH 4.5-6) 3.93 7.47 -36.07 2 4 1 61 270.308 5
Lo Low (pH 4.5-6) 3.93 6.22 -36.28 2 4 1 61 270.308 5

Activity (Go SEA)

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