UCSF

ZINC05203802

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 29 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) 4.75 7.99 -15.11 3 6 0 96 387.391 5
Hi High (pH 8-9.5) 4.75 8.99 -53.38 2 6 -1 99 386.383 5

Activity (Go SEA)

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