UCSF

ZINC31958817

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 2.75 6.56 -62.1 4 5 1 74 329.811 4
Mid Mid (pH 6-8) 2.75 6.17 -16.45 3 5 0 72 328.803 4
Lo Low (pH 4.5-6) 2.75 6.98 -95.79 5 5 2 75 330.819 4

Activity (Go SEA)

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