UCSF

ZINC41648618

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.94 10.34 -6.61 0 4 0 43 454.364 2
Mid Mid (pH 6-8) 5.94 13.12 -44.38 1 4 1 44 455.372 2

Activity (Go SEA)

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