UCSF

ZINC09380643

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 34 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) 2.97 7.07 -50.72 2 8 1 90 487.96 8
Mid Mid (pH 6-8) 2.39 7.74 -60.25 1 8 1 87 487.96 8

Activity (Go SEA)

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