UCSF

ZINC31960182

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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 1.15 -51.96 2 8 -1 107 321.357 8
Mid Mid (pH 6-8) -0.09 3.48 -79.74 3 8 0 108 322.365 8
Mid Mid (pH 6-8) -0.09 1.61 -70.98 3 8 0 108 322.365 8
Lo Low (pH 4.5-6) -0.09 3.95 -125.73 4 8 1 109 323.373 8

Activity (Go SEA)

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