UCSF

ZINC31960775

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 0.23 3.3 -92.6 6 6 2 86 281.404 8
Hi High (pH 8-9.5) 0.23 0.66 -16.87 4 6 0 83 279.388 8
Mid Mid (pH 6-8) 0.23 2.98 -48.49 5 6 1 84 280.396 8

Activity (Go SEA)

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