UCSF

ZINC31958828

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 24 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) 2.90 7.3 -63.17 4 5 1 74 323.42 4
Mid Mid (pH 6-8) 2.90 6.92 -18.13 3 5 0 72 322.412 4
Mid Mid (pH 6-8) 2.90 7.72 -92.72 5 5 2 75 324.428 4

Activity (Go SEA)

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