UCSF

ZINC34885002

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 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) -2.25 -7.25 -26.07 5 8 0 131 293.226 3
Hi High (pH 8-9.5) -2.25 -6.72 -68.14 4 8 -1 134 292.218 3

Activity (Go SEA)

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