UCSF

ZINC08431224

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 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) 2.50 9.19 -45.83 2 5 1 60 327.404 7
Hi High (pH 8-9.5) 2.50 6.73 -8.93 1 5 0 59 326.396 7

Activity (Go SEA)

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