UCSF

ZINC06690385

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 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) 3.06 10.89 -9.55 0 6 0 61 408.285 8
Mid Mid (pH 6-8) 3.06 11.76 -40.59 1 6 1 62 409.293 8

Activity (Go SEA)

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