UCSF

ZINC43453291

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 1.05 5.98 -47.21 2 5 1 63 259.37 9
Mid Mid (pH 6-8) 1.05 4.9 -13.8 1 5 0 59 258.362 9

Activity (Go SEA)

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