UCSF

ZINC31977874

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) 1.37 5.02 -88.42 4 4 2 45 279.428 6
Hi High (pH 8-9.5) 1.37 2.55 -47.68 3 4 1 43 278.42 6
Mid Mid (pH 6-8) 1.37 4.88 -90.46 4 4 2 45 279.428 6

Activity (Go SEA)

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