UCSF

ZINC41661188

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) 3.00 4.72 -9.07 0 6 0 55 412.511 4
Mid Mid (pH 6-8) 3.00 7 -48.46 1 6 1 56 413.519 4

Activity (Go SEA)

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