UCSF

ZINC04660293

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2005 24 No

Other Names:

MFCD02952295

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) 5.45 8.59 -8.81 1 4 0 55 338.432 2
Ref Reference (pH 7) 5.45 7.9 -8.81 1 4 0 55 338.432 2
Hi High (pH 8-9.5) 5.45 9.36 -42.93 0 4 -1 57 337.424 2
Hi High (pH 8-9.5) 5.45 8.67 -41.77 0 4 -1 57 337.424 2

Activity (Go SEA)

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