UCSF

ZINC19228991

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 22 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) 2.73 8.65 -45.15 1 4 1 34 303.426 5
Hi High (pH 8-9.5) 2.73 6.39 -5.61 0 4 0 33 302.418 5
Mid Mid (pH 6-8) 2.73 8.69 -39.37 1 4 1 34 303.426 5
Lo Low (pH 4.5-6) 2.73 11.04 -119.6 2 4 2 35 304.434 5

Activity (Go SEA)

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