UCSF

ZINC35894961

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 29 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) 2.09 4.17 -11.48 1 6 0 54 413.44 5
Mid Mid (pH 6-8) 2.09 6.43 -46.93 2 6 1 55 414.448 5

Activity (Go SEA)

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