UCSF

ZINC04997842

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2006 16 Yes

Other Names:

MFCD07404161

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) 3.58 8.83 -38.23 2 1 1 17 232.372 4
Hi High (pH 8-9.5) 3.58 7.73 -3.68 1 1 0 12 231.364 4

Activity (Go SEA)

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