UCSF

ZINC33828150

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 33 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) 2.87 7.07 -16.78 2 7 0 84 447.583 10
Mid Mid (pH 6-8) 2.87 7.78 -33.83 3 7 1 86 448.591 10
Lo Low (pH 4.5-6) 2.87 10 -97.52 4 7 2 87 449.599 10

Activity (Go SEA)

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