UCSF

ZINC05417215

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 21 No

Other Names:

MFCD00849869

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 7.35 -7.17 2 4 0 57 344.212 2
Ref Reference (pH 7) 4.61 7.23 -9.67 2 4 0 57 344.212 2
Hi High (pH 8-9.5) 5.07 5.46 -43.72 1 4 -1 60 343.204 2
Hi High (pH 8-9.5) 5.07 5.19 -47.91 1 4 -1 60 343.204 2

Activity (Go SEA)

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