UCSF

ZINC12530365

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 16 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) -0.54 4.81 -15.19 1 6 0 75 223.232 2
Mid Mid (pH 6-8) -0.54 5.4 -51.21 2 6 1 77 224.24 2

Activity (Go SEA)

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