UCSF

ZINC06580178

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 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) 1.16 3.46 -13.05 2 7 0 89 294.336 6
Hi High (pH 8-9.5) 1.16 3.26 -44.48 1 7 -1 87 293.328 6

Activity (Go SEA)

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