UCSF

ZINC31946234

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 1.42 8.92 -57.5 2 5 1 55 335.431 3
Mid Mid (pH 6-8) 1.42 9.33 -90.03 3 5 2 56 336.439 3
Mid Mid (pH 6-8) 1.42 7.55 -15.18 1 5 0 50 334.423 3

Activity (Go SEA)

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