UCSF

ZINC00698100

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 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) 1.27 9.04 -28.33 1 9 0 103 485.61 7
Hi High (pH 8-9.5) 1.09 7.96 -61.38 0 9 -1 109 484.602 7

Activity (Go SEA)

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