UCSF

ZINC35554903

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 35 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) 3.78 13.67 -56.57 1 7 1 58 477.629 6
Mid Mid (pH 6-8) 3.78 11.41 -15.82 0 7 0 56 476.621 6

Activity (Go SEA)

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