UCSF

ZINC39641954

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 15 Yes

Other Names:

MFCD28101562

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) -0.03 1.7 -9.41 0 4 0 33 212.293 1
Mid Mid (pH 6-8) -0.03 4.15 -44.31 1 4 1 34 213.301 1

Activity (Go SEA)

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