UCSF

ZINC19910862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 Yes

Other Names:

MFCD00086758

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) 3.78 3.58 -9.15 2 4 0 51 293.75 5
Hi High (pH 8-9.5) 3.78 4.36 -44.92 1 4 -1 54 292.742 5

Activity (Go SEA)

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