UCSF

ZINC40477074

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 19 Yes

Other Names:

MFCD18170405

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) 4.34 6.76 -45.83 3 2 1 37 325.201 4
Hi High (pH 8-9.5) 4.34 5.63 -5.51 2 2 0 32 324.193 4
Hi High (pH 8-9.5) 4.34 6.39 -38.57 1 2 -1 35 323.185 4

Activity (Go SEA)

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