UCSF

ZINC31561139

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 31 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) 4.84 14.71 -45.5 1 4 1 34 457.685 8
Mid Mid (pH 6-8) 4.84 12.45 -8.68 0 4 0 33 456.677 8
Mid Mid (pH 6-8) 4.84 13.94 -40.57 1 4 1 34 457.685 8

Activity (Go SEA)

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