UCSF

ZINC31961301

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) -0.33 -0.66 -53.82 5 6 1 91 239.299 7
Mid Mid (pH 6-8) -0.33 -1.05 -13.25 4 6 0 89 238.291 7
Mid Mid (pH 6-8) -0.33 -0.2 -99.06 6 6 2 92 240.307 7

Activity (Go SEA)

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