UCSF

ZINC34539169

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 3.80 4.78 -10.58 2 4 0 75 290.702 3
Hi High (pH 8-9.5) 3.80 6.55 -100.81 0 4 -2 80 288.686 3
Mid Mid (pH 6-8) 3.80 5.77 -50.77 1 4 -1 77 289.694 3

Activity (Go SEA)

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