UCSF

ZINC16672827

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 36 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) 3.69 6.89 -12.73 1 7 0 71 517.426 7
Mid Mid (pH 6-8) 3.69 9.15 -49.78 2 7 1 72 518.434 7

Activity (Go SEA)

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