UCSF

ZINC43545833

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 19 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) 2.19 6.19 -8.63 0 3 0 24 264.344 3
Mid Mid (pH 6-8) 2.19 8.41 -42.98 1 3 1 25 265.352 3

Activity (Go SEA)

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