UCSF

ZINC19687773

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 21 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) 1.66 7.1 -47.27 3 4 1 51 290.431 6
Hi High (pH 8-9.5) 1.66 4.9 -7.8 2 4 0 50 289.423 6
Mid Mid (pH 6-8) 1.66 7.49 -104.21 4 4 2 52 291.439 6

Activity (Go SEA)

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