UCSF

ZINC39899155

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 37 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) 5.96 11.03 -12.72 2 7 0 88 515.997 9
Mid Mid (pH 6-8) 5.96 11.15 -15.93 2 7 0 88 515.997 9

Activity (Go SEA)

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