UCSF

ZINC31961323

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) 0.30 0.28 -52.34 5 5 1 82 209.273 5
Mid Mid (pH 6-8) 0.30 -0.11 -12.14 4 5 0 80 208.265 5
Mid Mid (pH 6-8) 0.30 0.74 -96.62 6 5 2 83 210.281 5

Activity (Go SEA)

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