UCSF

ZINC09373883

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 36 No

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) 3.96 10.37 -55.74 3 7 1 92 487.576 9
Mid Mid (pH 6-8) 3.37 -0.37 -65.36 2 7 1 88 487.576 9

Activity (Go SEA)

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