UCSF

ZINC31992659

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.86 0.77 -8.56 2 5 0 76 205.217 2
Mid Mid (pH 6-8) -1.86 1.09 -60.69 3 5 1 78 206.225 2

Activity (Go SEA)

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