UCSF

ZINC49659754

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 24 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) 3.08 4.08 -34.83 1 5 -1 77 351.354 3
Mid Mid (pH 6-8) 3.08 3.94 -12.45 2 5 0 75 352.362 3

Activity (Go SEA)

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