UCSF

ZINC33673392

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 3.16 10.81 -38.39 1 6 1 54 368.505 3
Mid Mid (pH 6-8) 3.16 10.51 -14.77 0 6 0 53 367.497 3

Activity (Go SEA)

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