UCSF

ZINC31973109

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 No

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) 3.00 9.61 -55.02 0 4 -1 57 295.293 3
Mid Mid (pH 6-8) 3.00 10.02 -60.67 1 4 0 59 296.301 3

Activity (Go SEA)

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