UCSF

ZINC35637902

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 27 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) 3.39 9.93 -9.29 0 5 0 41 368.525 5
Mid Mid (pH 6-8) 3.39 12.28 -47.55 1 5 1 43 369.533 5

Activity (Go SEA)

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