UCSF

ZINC02184556

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 24 Yes

Other Names:

MFCD03839019

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.86 10.71 -37.3 3 2 1 37 320.456 5
Hi High (pH 8-9.5) 5.86 11.32 -20.39 2 2 0 40 319.448 5
Hi High (pH 8-9.5) 5.86 9.82 -4.81 2 2 0 32 319.448 5

Activity (Go SEA)

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