UCSF

ZINC19673334

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 Yes

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) -0.42 2.99 -50.08 2 5 1 55 209.273 1
Mid Mid (pH 6-8) -0.42 1.61 -11.4 1 5 0 50 208.265 1

Activity (Go SEA)

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