UCSF

ZINC39914233

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 33 Yes

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) 4.28 6.98 -13.35 2 8 0 97 471.941 7
Mid Mid (pH 6-8) 4.28 7.75 -48.5 1 8 -1 100 470.933 7

Activity (Go SEA)

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