UCSF

ZINC31959798

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 2.63 5.79 -56.98 4 4 1 70 290.412 4
Mid Mid (pH 6-8) 2.63 5.4 -17.81 3 4 0 68 289.404 4
Mid Mid (pH 6-8) 2.45 4.72 -46.07 3 4 0 76 289.404 4

Activity (Go SEA)

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