UCSF

ZINC31961343

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 0.09 0.21 -52.12 5 5 1 82 209.273 4
Mid Mid (pH 6-8) 0.09 0.66 -96.12 6 5 2 83 210.281 4
Mid Mid (pH 6-8) 0.09 -0.17 -12.08 4 5 0 80 208.265 4

Activity (Go SEA)

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