UCSF

ZINC06677799

Substance Information

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

Other Names:

MFCD08059920

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) -0.23 3.7 -109.98 4 3 2 45 193.294 2
Lo Low (pH 4.5-6) -0.23 3.98 -183.03 5 3 3 46 194.302 2

Activity (Go SEA)

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