UCSF

ZINC04899751

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 18 Yes

CAS Number: 22028-81-5

Other Names:

MFCD00237895

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) -4.29 -3.04 -82.9 5 8 0 137 259.262 4
Mid Mid (pH 6-8) -4.29 -3.44 -57.63 4 8 -1 136 258.254 4

Activity (Go SEA)

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