UCSF

ZINC31915466

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 4.44 9.12 -13.53 0 4 0 36 314.772 2
Mid Mid (pH 6-8) 4.44 9.52 -31.48 1 4 1 37 315.78 2

Activity (Go SEA)

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