UCSF

ZINC21954353

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 15 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) -0.60 -2.2 -10.88 4 5 0 84 205.217 3
Mid Mid (pH 6-8) -0.60 -2.31 -14.39 4 5 0 84 205.217 3

Activity (Go SEA)

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