UCSF

ZINC39869956

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 28 No

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) 3.87 7.39 -123.66 2 8 -2 142 396.38 5
Mid Mid (pH 6-8) 3.87 6.96 -198.01 1 8 -3 145 395.372 5

Activity (Go SEA)

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