UCSF

ZINC05442316

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 24 No

Other Names:

MFCD00384532

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) 4.41 5.09 -12.39 3 6 0 95 388.221 2
Ref Reference (pH 7) 4.41 4.92 -16.71 3 6 0 95 388.221 2
Hi High (pH 8-9.5) 4.41 6.08 -56.5 2 6 -1 97 387.213 2
Hi High (pH 8-9.5) 4.41 5.93 -57.66 2 6 -1 97 387.213 2

Activity (Go SEA)

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