UCSF

ZINC31960242

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 0.45 1.58 -53.74 3 7 -1 114 294.331 10
Mid Mid (pH 6-8) 0.45 2.05 -71.19 4 7 0 116 295.339 10
Lo Low (pH 4.5-6) 0.45 0.93 -45.55 5 7 1 113 296.347 10

Activity (Go SEA)

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