UCSF

ZINC20569821

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 32 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) 3.87 3.89 -20.37 2 8 0 114 456.43 6
Hi High (pH 8-9.5) 3.94 2.46 -113.99 0 8 -2 123 454.414 6
Hi High (pH 8-9.5) 3.94 2.46 -45.4 1 8 -1 121 455.422 6
Mid Mid (pH 6-8) 3.87 3.89 -54.54 1 8 -1 116 455.422 6

Activity (Go SEA)

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