UCSF

ZINC05832895

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 24 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) 0.99 -4.41 -23.4 2 8 0 106 351.384 6
Hi High (pH 8-9.5) 0.99 -3.84 -62.35 1 8 -1 108 350.376 6

Activity (Go SEA)

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