UCSF

ZINC38718512

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 26 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) 4.27 8.28 -20.09 1 5 0 64 405.932 4
Mid Mid (pH 6-8) 4.27 8.7 -57.67 0 5 -1 66 404.924 4
Lo Low (pH 4.5-6) 4.27 8.72 -37.45 2 5 1 65 406.94 4

Activity (Go SEA)

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